#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 3.70 -0.29 -0.67 1.02 -1.26 -4.49 119.74 117.75 2jkz s LYS 6 Ca 0.00 0.78 -0.03 0.00 0.02 0.00 0.00 55.97 56.74 2jkz s LYS 6 Cb 0.00 -2.12 0.04 0.00 -0.52 0.00 0.00 37.83 35.23 2jkz s LYS 6 CO 0.00 -0.46 0.00 -0.65 -0.92 0.00 0.00 175.35 173.33 2jkz s GLN 7 N -4.81 2.67 -0.16 1.68 -1.52 -0.42 -5.00 119.66 112.09 2jkz s GLN 7 Ca 0.56 -1.11 -0.23 0.00 -1.95 0.00 0.00 55.36 52.63 2jkz s GLN 7 Cb -0.11 -3.17 -0.02 0.00 -0.22 0.00 0.00 33.01 29.49 2jkz s GLN 7 CO 0.47 -0.53 0.72 0.71 -0.25 0.00 0.00 175.29 176.40 2jkz s TYR 8 N 1.32 3.43 -0.17 0.91 2.02 -1.26 -0.98 117.35 122.62 2jkz s TYR 8 Ca -0.02 1.11 -0.04 0.00 -0.37 0.00 0.00 57.07 57.75 2jkz s TYR 8 Cb -0.18 -2.88 -0.03 0.00 -0.40 0.00 0.00 41.96 38.47 2jkz s TYR 8 CO -0.01 -0.15 -0.02 0.42 -1.57 0.00 0.00 175.55 174.21 2jkz s ILE 9 N 1.80 3.93 0.48 2.71 -1.09 -0.70 -4.21 121.20 124.13 2jkz s ILE 9 Ca 0.34 -0.34 -0.07 0.00 -2.23 0.00 0.00 60.65 58.35 2jkz s ILE 9 Cb -0.16 -2.74 -0.04 0.00 -1.58 0.00 0.00 42.46 37.94 2jkz s ILE 9 CO 0.12 0.47 0.81 -0.94 -1.23 0.00 0.00 174.94 174.18 2jkz s SER 10 N 0.54 6.30 0.09 3.58 1.04 -1.17 -2.79 113.70 121.28 2jkz s SER 10 Ca -0.02 1.02 -0.27 0.00 0.48 0.00 0.00 55.95 57.15 2jkz s SER 10 Cb -0.14 -2.28 -0.14 0.00 0.10 0.00 0.00 66.02 63.56 2jkz s SER 10 CO 0.02 -0.58 1.68 1.88 0.98 0.00 0.00 173.24 177.23 2jkz h TYR 11 N 0.34 -0.42 -0.59 5.02 0.05 -1.95 -2.08 116.97 117.34 2jkz h TYR 11 Ca -0.47 -0.00 0.17 0.00 0.05 0.00 0.00 58.73 58.48 2jkz h TYR 11 Cb 1.20 0.15 -0.02 0.00 1.01 0.00 0.00 36.73 39.07 2jkz h TYR 11 CO 0.60 -0.25 0.47 -0.91 -1.05 0.00 0.00 178.16 177.01 2jkz h ASN 12 N -0.39 0.00 0.10 3.88 4.21 -1.95 -0.43 115.58 121.00 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 0.34 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.54 2jkz h ASN 12 CO 0.00 0.00 -0.05 -1.13 -1.29 0.00 0.00 177.43 174.96 2jkz h ASN 13 N 0.00 -0.11 -0.97 5.81 -0.73 -1.62 -2.08 115.58 115.88 2jkz h ASN 13 Ca 0.28 -0.44 0.22 0.00 1.87 0.00 0.00 56.30 58.22 2jkz h ASN 13 Cb 1.21 0.03 -0.08 0.00 0.27 0.00 0.00 38.32 39.74 2jkz h ASN 13 CO -0.00 0.44 0.62 0.58 -0.37 0.00 0.00 177.43 178.70 2jkz h VAL 14 N -0.72 0.64 -0.37 2.57 2.07 -0.65 0.85 116.25 120.65 2jkz h VAL 14 Ca -0.01 -0.17 -0.06 0.00 0.82 0.00 0.00 66.70 67.28 2jkz h VAL 14 Cb 0.55 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 2jkz h VAL 14 CO 0.02 0.09 0.01 -0.74 0.02 0.00 0.00 177.57 176.98 2jkz h HIS 15 N 0.50 0.70 -0.01 1.57 -0.00 -0.97 -2.30 115.15 114.65 2jkz h HIS 15 Ca 0.54 -0.12 -0.13 0.00 -0.00 0.00 0.00 60.37 60.66 2jkz h HIS 15 Cb 1.20 -0.18 -0.02 0.00 -0.00 0.00 0.00 27.41 28.41 2jkz h HIS 15 CO -0.00 0.73 -0.60 1.96 -0.00 0.00 0.00 177.93 180.01 2jkz h GLN 16 N 0.46 0.02 -0.14 5.26 4.20 -0.25 -1.82 115.11 122.84 2jkz h GLN 16 Ca 0.11 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.80 2jkz h GLN 16 Cb 0.44 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.22 2jkz h GLN 16 CO 0.02 0.62 0.07 -0.07 -0.67 0.00 0.00 178.83 178.80 2jkz h LEU 17 N 0.02 0.18 -0.46 1.46 3.38 -0.79 -1.39 115.31 117.71 2jkz h LEU 17 Ca -0.01 -0.10 0.02 0.00 0.09 0.00 0.00 57.88 57.89 2jkz h LEU 17 Cb 1.07 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.74 2jkz h LEU 17 CO 0.08 0.23 0.27 0.00 0.09 0.00 0.00 178.44 179.11 2jkz h GLN 19 N 0.54 -0.43 -0.50 0.00 4.15 -0.77 0.45 115.11 118.55 2jkz h GLN 19 Ca 0.18 0.03 -0.05 0.00 0.77 0.00 0.00 58.65 59.59 2jkz h GLN 19 Cb 0.02 0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.78 2jkz h GLN 19 CO -0.08 -0.28 0.14 -0.39 -1.93 0.00 0.00 178.83 176.28 2jkz h VAL 20 N -0.44 1.24 0.00 2.39 -1.51 -1.16 -2.34 116.25 114.43 2jkz h VAL 20 Ca 0.09 -0.82 -0.02 0.00 -1.23 0.00 0.00 66.70 64.72 2jkz h VAL 20 Cb 0.60 0.81 -0.00 0.00 -2.13 0.00 0.00 31.29 30.56 2jkz h VAL 20 CO -0.40 0.30 -0.12 0.28 -1.23 0.00 0.00 177.57 176.40 2jkz h SER 21 N 0.69 0.00 -0.89 4.19 0.02 -0.83 -2.89 113.55 113.85 2jkz h SER 21 Ca 0.16 0.00 0.16 0.00 -0.84 0.00 0.00 61.79 61.27 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 0.12 0.47 0.00 -1.14 0.00 0.00 176.83 176.28 2jkz h ALA 22 N 1.88 1.37 0.81 3.77 0.00 0.47 -2.05 119.26 125.51 2jkz h ALA 22 Ca -0.00 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 2jkz h ALA 22 Cb 0.30 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.08 2jkz h ALA 22 CO 0.02 -0.10 -0.39 0.93 0.00 0.00 0.00 179.25 179.71 2jkz h GLU 23 N 0.64 -1.05 -0.78 0.00 4.39 -1.62 -1.44 114.58 114.71 2jkz h GLU 23 Ca 0.49 0.07 0.16 0.00 0.34 0.00 0.00 59.36 60.43 2jkz h GLU 23 Cb 0.73 0.24 -0.10 0.00 -0.10 0.00 0.00 28.75 29.51 2jkz h GLU 23 CO -0.38 -0.70 0.29 0.00 -1.16 0.00 0.00 179.01 177.06 2jkz h ARG 24 N -1.25 0.39 0.00 2.33 3.08 -1.68 0.31 114.38 117.56 2jkz h ARG 24 Ca -0.11 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 59.91 2jkz h ARG 24 Cb 0.84 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.80 2jkz h ARG 24 CO 0.18 0.26 -0.04 0.82 -1.07 0.00 0.00 179.97 180.12 2jkz h ILE 25 N 0.40 1.02 0.00 2.04 2.04 -1.30 -2.55 117.51 119.15 2jkz h ILE 25 Ca 0.44 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 66.15 2jkz h ILE 25 Cb 0.73 1.08 0.00 0.00 -0.74 0.00 0.00 36.82 37.89 2jkz h ILE 25 CO -0.45 0.04 0.13 0.11 0.00 0.00 0.00 178.15 177.98 2jkz h LYS 26 N 0.00 0.00 0.13 2.37 1.57 0.76 -2.76 116.57 118.64 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 0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.39 2jkz h LYS 26 CO 0.01 0.00 -0.06 -0.91 -0.57 0.00 0.00 179.45 177.91 2jkz h ASN 27 N 0.00 -0.14 -0.65 0.86 2.35 -1.55 -3.22 115.58 113.22 2jkz h ASN 27 Ca 0.00 0.00 0.19 0.00 -0.55 0.00 0.00 56.30 55.94 2jkz h ASN 27 Cb 0.26 0.04 -0.03 0.00 0.05 0.00 0.00 38.32 38.64 2jkz h ASN 27 CO 0.00 0.04 0.88 0.33 -1.65 0.00 0.00 177.43 177.03 2jkz n PHE 28 N -3.26 0.00 -3.64 1.19 7.35 -1.04 -4.73 117.46 113.33 2jkz n PHE 28 Ca -0.02 0.00 -0.22 0.00 -0.76 0.00 0.00 57.45 56.45 2jkz n PHE 28 Cb 0.07 -0.16 0.01 0.00 0.35 0.00 0.00 39.48 39.74 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 -2.62 -1.33 -1.92 -4.13 4.81 -1.22 -4.88 118.16 106.87 2jkz n LYS 29 Ca 0.15 0.82 -0.39 0.00 -0.87 0.00 0.00 58.31 58.02 2jkz n LYS 29 Cb 1.08 -3.33 0.01 0.00 0.02 0.00 0.00 35.03 32.81 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 -4.87 3.70 -0.07 1.64 0.04 -1.26 -4.74 135.00 129.45 2jkz s PRO 30 Ca 0.11 2.24 0.21 0.00 0.04 0.00 0.00 61.00 63.60 2jkz s PRO 30 Cb -0.05 -2.61 -0.32 0.00 0.04 0.00 0.00 34.50 31.57 2jkz s PRO 30 CO 0.87 -0.74 0.39 -0.25 0.04 0.00 0.00 177.00 177.30 2jkz n ASP 31 N -0.24 0.01 -3.48 6.66 9.92 0.09 -4.97 116.55 124.54 2jkz n ASP 31 Ca 0.06 0.00 -0.10 0.00 -0.53 0.00 0.00 54.79 54.22 2jkz n ASP 31 Cb 0.43 1.75 -0.02 0.00 -0.64 0.00 0.00 41.12 42.64 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 -4.76 -0.44 -0.07 0.64 2.34 -1.23 -4.48 118.68 110.68 2jkz s LEU 32 Ca -0.08 0.05 0.04 0.00 0.06 0.00 0.00 54.13 54.20 2jkz s LEU 32 Cb 0.12 2.23 -0.02 0.00 -0.56 0.00 0.00 46.19 47.96 2jkz s LEU 32 CO 0.89 -0.72 -0.20 -0.63 -1.06 0.00 0.00 176.35 174.63 2jkz s ILE 33 N -3.14 2.48 -0.20 1.48 1.01 -0.04 -2.22 121.20 120.58 2jkz s ILE 33 Ca 0.03 -0.91 -0.01 0.00 0.00 0.00 0.00 60.65 59.76 2jkz s ILE 33 Cb -0.01 -1.95 0.01 0.00 0.01 0.00 0.00 42.46 40.52 2jkz s ILE 33 CO -0.09 0.57 -0.14 -0.63 0.00 0.00 0.00 174.94 174.65 2jkz s ILE 34 N -0.21 2.53 -0.17 2.92 1.01 -0.24 -0.06 121.20 126.98 2jkz s ILE 34 Ca -0.01 -0.82 -0.07 0.00 0.00 0.00 0.00 60.65 59.74 2jkz s ILE 34 Cb -0.13 -2.12 -0.04 0.00 0.01 0.00 0.00 42.46 40.18 2jkz s ILE 34 CO 0.03 0.47 0.07 0.00 0.00 0.00 0.00 174.94 175.52 2jkz s ALA 35 N 1.35 3.48 -0.38 9.38 0.00 0.14 -0.84 121.76 134.89 2jkz s ALA 35 Ca 0.05 -0.73 -0.24 0.00 0.00 0.00 0.00 51.96 51.04 2jkz s ALA 35 Cb -0.14 -1.93 0.01 0.00 0.00 0.00 0.00 23.12 21.07 2jkz s ALA 35 CO -0.09 0.25 0.82 0.42 0.00 0.00 0.00 175.76 177.15 2jkz s ILE 36 N 0.15 4.68 0.04 0.00 1.01 0.08 -0.95 121.20 126.20 2jkz s ILE 36 Ca 0.05 0.88 0.00 0.00 0.00 0.00 0.00 60.65 61.59 2jkz s ILE 36 Cb -0.12 -4.26 0.00 0.00 0.01 0.00 0.00 42.46 38.09 2jkz s ILE 36 CO 0.00 -0.51 0.00 0.61 0.00 0.00 0.00 174.94 175.04 2jkz n GLY 37 N 4.58 -1.17 0.08 6.18 0.00 0.48 -1.50 105.19 113.84 2jkz n GLY 37 Ca 0.04 -1.06 -0.05 0.00 0.00 0.00 0.00 46.02 44.94 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 -0.14 0.00 0.28 -0.02 0.00 -1.91 -2.74 103.07 98.53 2jkz h GLY 38 Ca 0.00 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 0.05 -1.33 0.00 0.00 0.00 176.54 175.26 2jkz h GLY 39 N 2.69 0.55 1.92 4.60 0.00 -1.99 -1.51 103.07 109.33 2jkz h GLY 39 Ca -0.01 0.02 -0.06 0.00 0.00 0.00 0.00 47.33 47.28 2jkz h GLY 39 CO 0.11 -0.10 -0.37 -1.33 0.00 0.00 0.00 176.54 174.85 2jkz h GLY 40 N 0.17 0.00 0.81 4.60 0.00 -1.29 -3.35 103.07 104.01 2jkz h GLY 40 Ca 0.25 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.57 2jkz h GLY 40 CO -0.36 0.00 -0.11 -2.75 0.00 0.00 0.00 176.54 173.32 2jkz h PHE 41 N 0.00 -0.27 -0.29 5.60 3.04 -0.97 -1.65 116.94 122.40 2jkz h PHE 41 Ca -0.01 -0.01 0.07 0.00 3.98 0.00 0.00 57.97 62.00 2jkz h PHE 41 Cb 1.23 0.09 -0.08 0.00 2.56 0.00 0.00 35.95 39.75 2jkz h PHE 41 CO 0.00 -0.03 -0.30 0.82 -2.02 0.00 0.00 178.31 176.78 2jkz h ILE 42 N -0.48 0.29 -0.34 1.41 2.04 -1.60 0.28 117.51 119.11 2jkz h ILE 42 Ca -0.03 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.75 2jkz h ILE 42 Cb 0.37 0.29 -0.02 0.00 -0.74 0.00 0.00 36.82 36.72 2jkz h ILE 42 CO 0.05 0.00 -0.13 1.55 0.00 0.00 0.00 178.15 179.62 2jkz h PRO 43 N -0.28 0.59 -0.30 2.37 0.13 -1.74 -2.11 132.00 130.66 2jkz h PRO 43 Ca 0.15 -0.18 0.03 0.00 -0.87 0.00 0.00 66.00 65.13 2jkz h PRO 43 Cb 0.52 -0.06 -0.03 0.00 0.13 0.00 0.00 31.00 31.56 2jkz h PRO 43 CO -0.45 0.70 0.11 0.00 -0.23 0.00 0.00 178.00 178.13 2jkz h ALA 44 N 1.33 0.34 -0.67 -0.56 0.00 -0.12 0.44 119.26 120.01 2jkz h ALA 44 Ca 0.10 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.05 2jkz h ALA 44 Cb 0.54 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 2jkz h ALA 44 CO 0.03 -0.29 0.44 -0.09 0.00 0.00 0.00 179.25 179.34 2jkz h ARG 45 N 0.24 0.85 0.07 0.00 9.65 -0.22 -1.22 114.38 123.75 2jkz h ARG 45 Ca 0.13 -0.05 -0.00 0.00 -1.10 0.00 0.00 59.98 58.96 2jkz h ARG 45 Cb 0.10 -0.19 0.00 0.00 -1.39 0.00 0.00 29.97 28.49 2jkz h ARG 45 CO -0.13 0.56 -0.03 0.82 2.80 0.00 0.00 179.97 183.99 2jkz h ILE 46 N 0.87 1.06 -1.07 1.20 2.04 -0.89 -2.64 117.51 118.08 2jkz h ILE 46 Ca 0.26 -0.43 0.30 0.00 1.00 0.00 0.00 64.86 65.99 2jkz h ILE 46 Cb -0.05 1.34 -0.12 0.00 -0.74 0.00 0.00 36.82 37.25 2jkz h ILE 46 CO -0.08 0.11 0.67 0.25 0.00 0.00 0.00 178.15 179.10 2jkz h LEU 47 N -0.29 0.47 0.08 1.44 7.12 0.30 -0.12 115.31 124.31 2jkz h LEU 47 Ca -0.01 0.13 -0.00 0.00 0.13 0.00 0.00 57.88 58.12 2jkz h LEU 47 Cb 0.25 0.06 0.00 0.00 -0.53 0.00 0.00 40.66 40.44 2jkz h LEU 47 CO 0.02 -0.00 -0.04 -0.09 -0.13 0.00 0.00 178.44 178.20 2jkz h ARG 48 N 0.36 -0.10 -1.12 1.25 2.43 -0.86 -2.74 114.38 113.61 2jkz h ARG 48 Ca 0.67 0.01 0.34 0.00 -0.81 0.00 0.00 59.98 60.19 2jkz h ARG 48 Cb 1.67 0.02 -0.12 0.00 -0.42 0.00 0.00 29.97 31.12 2jkz h ARG 48 CO -0.42 0.03 0.69 1.15 -1.51 0.00 0.00 179.97 179.91 2jkz h THR 49 N -0.20 0.32 0.00 0.20 2.02 -0.95 0.28 112.91 114.58 2jkz h THR 49 Ca -0.01 -0.09 -0.10 0.00 0.77 0.00 0.00 66.41 66.98 2jkz h THR 49 Cb 0.17 0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 66.59 2jkz h THR 49 CO 0.02 0.05 -0.45 -0.26 0.37 0.00 0.00 175.52 175.24 2jkz h PHE 50 N 0.28 0.00 -0.01 3.16 0.04 -1.48 -3.25 116.94 115.68 2jkz h PHE 50 Ca 0.71 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.48 2jkz h PHE 50 Cb 1.90 0.00 0.00 0.00 2.20 0.00 0.00 35.95 40.05 2jkz h PHE 50 CO -0.01 0.45 -0.00 1.28 -0.60 0.00 0.00 178.31 179.44 2jkz n LEU 51 N -3.21 0.70 -4.68 1.54 4.77 0.95 -4.87 117.00 112.21 2jkz n LEU 51 Ca 0.02 -0.23 -0.42 0.00 -0.03 0.00 0.00 56.01 55.35 2jkz n LEU 51 Cb 0.72 -0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.78 2jkz n LEU 51 CO 0.40 0.12 1.12 -0.75 -1.33 0.00 0.00 177.39 176.95 2jkz s LYS 52 N -2.01 4.26 -0.12 3.23 2.47 -1.06 -4.97 119.74 121.55 2jkz s LYS 52 Ca 0.43 1.86 0.03 0.00 -1.56 0.00 0.00 55.97 56.73 2jkz s LYS 52 Cb 0.22 -3.70 0.00 0.00 -1.46 0.00 0.00 37.83 32.89 2jkz s LYS 52 CO 0.36 -0.64 -0.23 -1.21 0.16 0.00 0.00 175.35 173.79 2jkz s GLU 53 N 2.96 3.05 -0.10 4.03 2.02 -1.26 -5.08 118.70 124.32 2jkz s GLU 53 Ca 0.61 -0.87 -0.31 0.00 0.02 0.00 0.00 54.97 54.43 2jkz s GLU 53 Cb -0.28 -2.36 -0.15 0.00 0.10 0.00 0.00 34.13 31.45 2jkz s GLU 53 CO 0.23 0.11 0.89 -0.35 0.02 0.00 0.00 175.26 176.15 2jkz n PRO 54 N 3.72 0.00 0.00 0.39 -0.04 -1.26 -2.06 135.00 135.75 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 -1.10 0.00 0.00 -0.04 0.00 0.00 33.50 32.89 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 1.59 2.02 3.68 0.55 0.00 -1.26 -4.99 105.19 106.78 2jkz n GLY 55 Ca 0.17 -0.28 -0.44 0.00 0.00 0.00 0.00 46.02 45.47 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 0.35 -1.66 1.61 0.31 -0.87 -4.93 118.33 113.14 2jkz n VAL 56 Ca 0.00 -0.06 -0.39 0.00 -0.01 0.00 0.00 64.34 63.88 2jkz n VAL 56 Cb 0.00 -1.96 0.04 0.00 -0.91 0.00 0.00 33.84 31.01 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 5.48 1.32 -2.09 5.55 -0.04 -1.26 -4.60 135.00 139.36 2jkz n PRO 57 Ca 0.19 0.49 -0.42 0.00 -0.04 0.00 0.00 63.50 63.72 2jkz n PRO 57 Cb 0.34 -2.29 -0.03 0.00 -0.04 0.00 0.00 33.50 31.48 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 -1.37 2.97 0.47 0.52 2.01 -1.26 -4.96 115.64 114.02 2jkz s THR 58 Ca 0.71 0.75 -0.24 0.00 0.31 0.00 0.00 61.69 63.22 2jkz s THR 58 Cb -0.45 -3.48 -0.08 0.00 0.01 0.00 0.00 72.50 68.50 2jkz s THR 58 CO 0.51 0.09 1.22 0.00 -0.69 0.00 0.00 174.62 175.75 2jkz n ILE 59 N 3.19 2.99 -3.22 1.82 3.06 -1.26 -4.99 119.36 120.95 2jkz n ILE 59 Ca 0.09 -0.50 -0.34 0.00 -2.50 0.00 0.00 62.75 59.50 2jkz n ILE 59 Cb 0.41 -1.49 -0.06 0.00 0.54 0.00 0.00 39.64 39.04 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 -2.42 4.03 -0.16 9.51 0.52 -1.26 -4.94 118.95 124.23 2jkz s ARG 60 Ca 0.66 0.62 0.02 0.00 -0.52 0.00 0.00 55.73 56.50 2jkz s ARG 60 Cb -0.48 -2.68 0.01 0.00 0.52 0.00 0.00 34.95 32.32 2jkz s ARG 60 CO 0.54 0.31 -0.21 0.42 0.02 0.00 0.00 175.30 176.38 2jkz s ILE 61 N -1.73 2.08 -0.20 1.52 1.01 -1.26 -0.86 121.20 121.75 2jkz s ILE 61 Ca 0.47 -0.96 -0.04 0.00 0.00 0.00 0.00 60.65 60.12 2jkz s ILE 61 Cb -0.13 -1.85 -0.02 0.00 0.01 0.00 0.00 42.46 40.48 2jkz s ILE 61 CO 0.19 0.54 -0.03 -0.36 0.00 0.00 0.00 174.94 175.29 2jkz s PHE 62 N 1.01 2.98 0.10 3.97 0.40 0.91 -4.97 117.98 122.38 2jkz s PHE 62 Ca -0.02 -0.70 -0.16 0.00 -0.60 0.00 0.00 56.93 55.45 2jkz s PHE 62 Cb -0.15 -2.07 -0.07 0.00 0.51 0.00 0.00 43.02 41.25 2jkz s PHE 62 CO -0.06 -0.39 0.54 0.00 0.70 0.00 0.00 175.22 176.01 2jkz s ALA 63 N 1.17 3.60 -0.01 5.36 0.00 -1.26 0.28 121.76 130.90 2jkz s ALA 63 Ca 0.02 -0.09 -0.04 0.00 0.00 0.00 0.00 51.96 51.85 2jkz s ALA 63 Cb -0.14 -2.54 -0.00 0.00 0.00 0.00 0.00 23.12 20.43 2jkz s ALA 63 CO -0.00 0.44 0.08 0.96 0.00 0.00 0.00 175.76 177.24 2jkz s ILE 64 N -1.30 0.06 -0.11 0.00 -4.36 -0.12 -4.68 121.20 110.69 2jkz s ILE 64 Ca 0.33 -0.52 0.02 0.00 -0.26 0.00 0.00 60.65 60.22 2jkz s ILE 64 Cb -0.17 -0.30 -0.01 0.00 1.25 0.00 0.00 42.46 43.24 2jkz s ILE 64 CO 0.18 -0.29 -0.17 -0.63 0.24 0.00 0.00 174.94 174.27 2jkz s ILE 65 N -0.93 2.67 -0.10 8.37 -1.09 -0.07 -0.39 121.20 129.65 2jkz s ILE 65 Ca -0.10 -0.81 0.00 0.00 -2.23 0.00 0.00 60.65 57.51 2jkz s ILE 65 Cb -0.06 -2.08 0.02 0.00 -1.58 0.00 0.00 42.46 38.77 2jkz s ILE 65 CO 0.00 0.55 -0.09 -0.22 -1.23 0.00 0.00 174.94 173.95 2jkz s LEU 66 N 0.17 1.33 -0.20 2.97 0.20 -1.26 -2.51 118.68 119.38 2jkz s LEU 66 Ca -0.10 -0.31 -0.06 0.00 0.69 0.00 0.00 54.13 54.35 2jkz s LEU 66 Cb -0.16 -0.85 -0.03 0.00 -0.43 0.00 0.00 46.19 44.72 2jkz s LEU 66 CO 0.06 -0.08 0.03 -0.44 -0.29 0.00 0.00 176.35 175.63 2jkz s SER 67 N 1.43 5.11 -0.20 3.68 0.01 -0.72 -4.97 113.70 118.05 2jkz s SER 67 Ca 0.00 -0.12 -0.03 0.00 1.31 0.00 0.00 55.95 57.12 2jkz s SER 67 Cb -0.13 -1.88 -0.01 0.00 0.21 0.00 0.00 66.02 64.21 2jkz s SER 67 CO -0.05 0.08 -0.07 -0.76 0.41 0.00 0.00 173.24 172.85 2jkz s LEU 68 N 0.89 2.83 0.34 2.44 1.43 -1.26 -1.05 118.68 124.29 2jkz s LEU 68 Ca 0.02 -0.38 0.09 0.00 -1.03 0.00 0.00 54.13 52.83 2jkz s LEU 68 Cb -0.14 -1.70 -0.05 0.00 0.03 0.00 0.00 46.19 44.33 2jkz s LEU 68 CO 0.02 0.03 -0.00 -0.31 0.23 0.00 0.00 176.35 176.32 2jkz s TYR 69 N 1.19 2.54 0.00 0.29 2.02 0.45 -4.95 117.35 118.88 2jkz s TYR 69 Ca 0.02 -0.43 0.00 0.00 -0.37 0.00 0.00 57.07 56.29 2jkz s TYR 69 Cb -0.14 -1.46 0.00 0.00 -0.40 0.00 0.00 41.96 39.95 2jkz s TYR 69 CO -0.02 0.49 0.00 -1.91 -1.57 0.00 0.00 175.55 172.54 2jkz n GLU 70 N -0.93 0.91 0.00 -0.62 2.13 -1.26 -0.89 120.64 119.97 2jkz n GLU 70 Ca -0.04 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.78 2jkz n GLU 70 Cb 0.62 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.33 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 2.77 -4.91 4.31 8.00 -1.26 -4.94 116.55 120.52 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 0.05 -0.04 0.00 -0.02 0.00 0.00 41.12 41.11 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 -1.67 5.37 -0.15 2.53 1.01 -1.26 -5.40 120.40 120.83 2jkz s VAL 84 Ca 0.00 -0.20 0.01 0.00 0.00 0.00 0.00 61.98 61.79 2jkz s VAL 84 Cb 0.00 -3.59 0.02 0.00 0.00 0.00 0.00 36.38 32.80 2jkz s VAL 84 CO 0.00 0.21 -0.16 -0.75 0.00 0.00 0.00 175.10 174.40 2jkz s LYS 85 N -2.27 2.49 0.02 2.72 2.47 -0.07 -4.99 119.74 120.11 2jkz s LYS 85 Ca 0.32 -0.64 -0.01 0.00 -1.56 0.00 0.00 55.97 54.09 2jkz s LYS 85 Cb -0.13 -2.19 -0.04 0.00 -1.46 0.00 0.00 37.83 34.02 2jkz s LYS 85 CO 0.23 -0.18 0.16 0.14 0.16 0.00 0.00 175.35 175.86 2jkz s VAL 86 N 1.29 5.17 -0.16 4.02 -7.23 -1.26 -0.41 120.40 121.82 2jkz s VAL 86 Ca 0.02 -0.34 -0.04 0.00 -1.81 0.00 0.00 61.98 59.81 2jkz s VAL 86 Cb -0.13 -3.44 0.07 0.00 0.56 0.00 0.00 36.38 33.44 2jkz s VAL 86 CO -0.09 0.26 0.19 -0.55 -0.31 0.00 0.00 175.10 174.60 2jkz s SER 87 N -2.09 1.22 -1.21 4.85 0.15 -0.22 -4.98 113.70 111.42 2jkz s SER 87 Ca 0.28 -0.04 -0.21 0.00 0.70 0.00 0.00 55.95 56.69 2jkz s SER 87 Cb -0.13 0.30 0.00 0.00 -1.71 0.00 0.00 66.02 64.48 2jkz s SER 87 CO 0.20 -0.30 1.80 -0.13 1.20 0.00 0.00 173.24 176.02 2jkz s ARG 88 N 2.30 3.31 0.24 5.44 0.52 -1.26 -1.75 118.95 127.74 2jkz s ARG 88 Ca 0.05 -1.51 -0.07 0.00 -0.52 0.00 0.00 55.73 53.67 2jkz s ARG 88 Cb -0.14 -5.39 0.25 0.00 0.52 0.00 0.00 34.95 30.20 2jkz s ARG 88 CO -0.09 -2.97 1.90 1.15 0.02 0.00 0.00 175.30 175.30 2jkz h THR 89 N 6.00 1.20 -2.73 0.02 2.02 -1.86 -3.41 112.91 114.14 2jkz h THR 89 Ca 0.32 -0.41 -0.17 0.00 0.77 0.00 0.00 66.41 66.92 2jkz h THR 89 Cb 0.92 -0.11 -0.31 0.00 -1.74 0.00 0.00 68.15 66.91 2jkz h THR 89 CO 1.35 0.22 -0.47 -1.10 0.37 0.00 0.00 175.52 175.89 2jkz s GLN 90 N -6.11 0.21 0.35 6.66 -0.21 -1.06 -4.92 119.66 114.58 2jkz s GLN 90 Ca -0.13 0.85 0.04 0.00 0.02 0.00 0.00 55.36 56.14 2jkz s GLN 90 Cb 0.17 0.10 -0.06 0.00 1.00 0.00 0.00 33.01 34.23 2jkz s GLN 90 CO 0.80 -0.27 0.06 -0.46 -2.12 0.00 0.00 175.29 173.31 2jkz s TRP 91 N 2.48 1.96 -0.27 0.91 -0.11 -1.26 -0.89 118.94 121.75 2jkz s TRP 91 Ca 0.00 -1.00 -0.29 0.00 1.22 0.00 0.00 56.10 56.04 2jkz s TRP 91 Cb -0.12 -1.31 0.01 0.00 -1.50 0.00 0.00 33.47 30.56 2jkz s TRP 91 CO -0.10 -0.01 1.05 0.42 -4.62 0.00 0.00 176.95 173.69 2jkz s ILE 92 N -3.23 4.61 -1.33 5.86 1.01 -1.26 -4.95 121.20 121.90 2jkz s ILE 92 Ca 0.33 1.86 -0.15 0.00 0.00 0.00 0.00 60.65 62.69 2jkz s ILE 92 Cb 0.07 -4.35 0.09 0.00 0.01 0.00 0.00 42.46 38.28 2jkz s ILE 92 CO 0.15 -0.32 1.85 -0.67 0.00 0.00 0.00 174.94 175.95 2jkz n ASP 93 N 6.57 4.69 -0.42 3.58 -0.08 -1.26 -4.77 116.55 124.86 2jkz n ASP 93 Ca 0.12 -2.93 0.35 0.00 -1.51 0.00 0.00 54.79 50.81 2jkz n ASP 93 Cb 0.47 -1.66 0.63 0.00 2.34 0.00 0.00 41.12 42.89 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 6.83 0.51 0.00 -0.67 0.05 -1.92 -1.90 116.97 119.87 2jkz h TYR 94 Ca 0.46 0.02 0.00 0.00 0.05 0.00 0.00 58.73 59.26 2jkz h TYR 94 Cb 0.77 -0.13 0.00 0.00 1.01 0.00 0.00 36.73 38.38 2jkz h TYR 94 CO 1.36 -0.14 0.00 0.39 -1.05 0.00 0.00 178.16 178.72 2jkz n GLU 95 N -4.64 0.00 0.27 4.88 -0.58 -1.26 -0.38 120.64 118.93 2jkz n GLU 95 Ca 0.35 0.18 0.15 0.00 -0.42 0.00 0.00 57.16 57.41 2jkz n GLU 95 Cb 1.33 -0.90 0.87 0.00 -0.57 0.00 0.00 31.44 32.18 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 -1.94 -1.05 115.11 115.61 2jkz h GLN 96 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.64 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 -0.09 0.00 0.00 0.00 0.00 178.83 178.74 2jkz n LYS 98 N -3.09 -3.92 -4.49 0.00 5.02 0.49 -5.00 118.16 107.17 2jkz n LYS 98 Ca 0.04 0.80 -0.34 0.00 -2.02 0.00 0.00 58.31 56.80 2jkz n LYS 98 Cb 0.55 -5.65 -0.13 0.00 -0.02 0.00 0.00 35.03 29.78 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 -5.93 2.99 -0.29 -0.35 2.96 -0.97 -5.07 118.68 112.03 2jkz s LEU 99 Ca 0.26 -0.24 0.01 0.00 -0.22 0.00 0.00 54.13 53.94 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 0.14 -0.05 -0.62 -1.32 0.00 0.00 176.35 175.26 2jkz s ASP 100 N 0.50 4.67 0.06 3.68 2.15 -1.26 -4.84 116.67 121.63 2jkz s ASP 100 Ca -0.06 -1.41 0.21 0.00 0.43 0.00 0.00 52.55 51.72 2jkz s ASP 100 Cb -0.15 -1.63 0.87 0.00 -0.30 0.00 0.00 42.92 41.71 2jkz s ASP 100 CO 0.03 -0.24 1.66 0.18 -0.17 0.00 0.00 175.17 176.64 2jkz n LEU 101 N 4.50 0.17 -4.67 -1.34 4.32 -1.26 -4.70 117.00 114.03 2jkz n LEU 101 Ca -0.12 0.53 -0.42 0.00 -0.02 0.00 0.00 56.01 55.98 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 0.24 -0.22 1.37 -0.69 -1.22 0.00 0.00 177.39 176.86 2jkz s VAL 102 N -3.06 3.34 -1.43 4.08 1.01 -1.26 -2.63 120.40 120.45 2jkz s VAL 102 Ca 0.09 0.58 0.00 0.00 0.00 0.00 0.00 61.98 62.65 2jkz s VAL 102 Cb 0.12 -3.37 0.00 0.00 0.00 0.00 0.00 36.38 33.13 2jkz s VAL 102 CO 0.39 -0.03 0.00 0.61 0.00 0.00 0.00 175.10 176.07 2jkz n GLY 103 N 4.10 1.07 3.75 4.51 0.00 -0.73 -5.01 105.19 112.89 2jkz n GLY 103 Ca 0.17 -0.34 -0.23 0.00 0.00 0.00 0.00 46.02 45.62 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 -3.55 2.40 -0.36 1.61 -0.14 -1.08 -4.99 119.74 113.63 2jkz s LYS 104 Ca 0.00 -1.55 -0.04 0.00 -1.36 0.00 0.00 55.97 53.02 2jkz s LYS 104 Cb 0.00 -2.19 0.07 0.00 -1.68 0.00 0.00 37.83 34.03 2jkz s LYS 104 CO 0.00 0.08 0.12 -0.80 -0.76 0.00 0.00 175.35 173.99 2jkz s ASN 105 N -3.88 5.21 -0.11 2.83 0.02 -1.26 -2.36 114.94 115.39 2jkz s ASN 105 Ca 0.39 -1.50 -0.14 0.00 -1.02 0.00 0.00 52.86 50.59 2jkz s ASN 105 Cb -0.02 -1.82 -0.05 0.00 0.02 0.00 0.00 41.25 39.38 2jkz s ASN 105 CO 0.23 -0.40 0.32 -0.69 0.02 0.00 0.00 177.10 176.58 2jkz s VAL 106 N 1.28 5.25 -0.24 1.60 1.01 -0.26 -0.73 120.40 128.30 2jkz s VAL 106 Ca 0.01 0.62 -0.03 0.00 0.00 0.00 0.00 61.98 62.58 2jkz s VAL 106 Cb -0.21 -3.64 0.01 0.00 0.00 0.00 0.00 36.38 32.54 2jkz s VAL 106 CO -0.01 0.47 -0.04 -0.22 0.00 0.00 0.00 175.10 175.30 2jkz s LEU 107 N -0.16 3.12 -0.12 3.92 2.96 -0.94 0.11 118.68 127.57 2jkz s LEU 107 Ca 0.19 -0.66 -0.22 0.00 -0.22 0.00 0.00 54.13 53.23 2jkz s LEU 107 Cb -0.14 -1.71 -0.03 0.00 0.50 0.00 0.00 46.19 44.80 2jkz s LEU 107 CO 0.07 -0.09 0.66 -0.63 -1.32 0.00 0.00 176.35 175.04 2jkz s ILE 108 N 1.41 5.05 0.04 6.68 1.01 0.36 -1.08 121.20 134.67 2jkz s ILE 108 Ca 0.03 1.31 0.09 0.00 0.00 0.00 0.00 60.65 62.07 2jkz s ILE 108 Cb -0.16 -3.98 -0.03 0.00 0.01 0.00 0.00 42.46 38.30 2jkz s ILE 108 CO -0.03 0.20 -0.25 -0.69 0.00 0.00 0.00 174.94 174.16 2jkz s VAL 109 N 1.23 2.06 -0.16 2.92 1.01 -0.02 -0.36 120.40 127.07 2jkz s VAL 109 Ca 0.33 -1.34 -0.29 0.00 0.00 0.00 0.00 61.98 60.67 2jkz s VAL 109 Cb -0.17 -1.76 0.11 0.00 0.00 0.00 0.00 36.38 34.57 2jkz s VAL 109 CO 0.14 0.35 0.94 -0.62 0.00 0.00 0.00 175.10 175.91 2jkz s ASP 110 N -1.20 -0.44 0.07 3.32 2.15 -0.95 -0.74 116.67 118.88 2jkz s ASP 110 Ca 0.11 0.56 -0.23 0.00 0.43 0.00 0.00 52.55 53.42 2jkz s ASP 110 Cb -0.10 0.46 -0.15 0.00 -0.30 0.00 0.00 42.92 42.83 2jkz s ASP 110 CO 0.02 -0.36 1.65 1.05 -0.17 0.00 0.00 175.17 177.36 2jkz h GLU 111 N 2.95 0.04 -4.21 4.34 9.09 -1.85 -3.34 114.58 121.60 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 -0.01 -0.23 0.00 -1.65 0.00 0.00 28.75 28.02 2jkz h GLU 111 CO 0.29 0.12 -0.72 0.54 0.05 0.00 0.00 179.01 179.29 2jkz s VAL 112 N -5.80 0.30 -0.43 -1.06 0.11 -1.26 -0.39 120.40 111.87 2jkz s VAL 112 Ca -0.14 -0.74 -0.14 0.00 -2.93 0.00 0.00 61.98 58.04 2jkz s VAL 112 Cb 0.05 -0.37 0.05 0.00 -1.53 0.00 0.00 36.38 34.59 2jkz s VAL 112 CO 0.67 -0.29 0.31 -0.62 -3.33 0.00 0.00 175.10 171.83 2jkz s ASP 113 N -1.10 5.98 0.00 3.54 -1.08 0.62 -4.97 116.67 119.67 2jkz s ASP 113 Ca -0.09 -1.15 0.00 0.00 -0.52 0.00 0.00 52.55 50.79 2jkz s ASP 113 Cb -0.07 -2.12 0.00 0.00 -1.46 0.00 0.00 42.92 39.27 2jkz s ASP 113 CO -0.00 -0.52 0.00 -0.67 0.52 0.00 0.00 175.17 174.50 2jkz n ASP 114 N 5.11 0.00 -0.54 -0.34 2.03 -1.26 -1.35 116.55 120.20 2jkz n ASP 114 Ca -0.12 0.01 0.06 0.00 0.52 0.00 0.00 54.79 55.26 2jkz n ASP 114 Cb 0.45 -0.45 0.08 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 -2.39 0.27 0.00 5.18 -2.24 -1.26 -4.77 114.28 109.06 2jkz n THR 115 Ca 0.00 -0.63 0.00 0.00 -2.27 0.00 0.00 64.05 61.15 2jkz n THR 115 Cb 0.00 1.05 0.00 0.00 -2.10 0.00 0.00 70.33 69.28 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 0.66 0.00 -0.33 -0.78 0.63 -1.26 -2.34 116.66 113.24 2jkz n ARG 116 Ca 0.09 0.00 -0.05 0.00 -0.92 0.00 0.00 57.85 56.96 2jkz n ARG 116 Cb 0.34 -2.75 -0.01 0.00 0.45 0.00 0.00 32.46 30.49 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 0.04 0.20 5.15 2.02 -1.87 0.11 112.91 118.56 2jkz h THR 117 Ca 0.00 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.19 2jkz h THR 117 Cb 0.00 0.04 -0.04 0.00 -1.74 0.00 0.00 68.15 66.41 2jkz h THR 117 CO 0.00 0.00 -0.40 0.74 0.37 0.00 0.00 175.52 176.23 2jkz h THR 118 N -0.07 0.18 -0.37 3.16 2.02 -1.98 -2.34 112.91 113.50 2jkz h THR 118 Ca 0.26 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.42 2jkz h THR 118 Cb 0.55 0.18 -0.02 0.00 -1.74 0.00 0.00 68.15 67.12 2jkz h THR 118 CO -0.88 0.00 0.15 -0.07 0.37 0.00 0.00 175.52 175.10 2jkz h LEU 119 N -0.69 0.47 -0.12 2.58 4.07 -1.83 -0.16 115.31 119.63 2jkz h LEU 119 Ca 0.01 -0.04 0.04 0.00 0.08 0.00 0.00 57.88 57.96 2jkz h LEU 119 Cb 0.68 -0.12 -0.06 0.00 1.08 0.00 0.00 40.66 42.24 2jkz h LEU 119 CO -0.19 0.43 -0.43 -0.74 -1.08 0.00 0.00 178.44 176.43 2jkz h HIS 120 N 0.52 -1.23 -0.16 1.13 2.76 -0.45 0.24 115.15 117.96 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 0.11 0.56 -0.00 0.00 1.55 0.00 0.00 27.41 29.62 2jkz h HIS 120 CO 0.00 -0.48 -0.63 1.88 -1.30 0.00 0.00 177.93 177.40 2jkz h TYR 121 N -0.51 0.75 -0.30 5.26 0.05 -1.29 -1.18 116.97 119.76 2jkz h TYR 121 Ca 0.07 -0.29 0.04 0.00 0.05 0.00 0.00 58.73 58.60 2jkz h TYR 121 Cb 0.63 -0.13 -0.04 0.00 1.01 0.00 0.00 36.73 38.21 2jkz h TYR 121 CO -0.49 1.06 0.06 0.00 -1.05 0.00 0.00 178.16 177.74 2jkz h ALA 122 N 0.87 0.31 0.60 3.88 0.00 -0.56 0.32 119.26 124.68 2jkz h ALA 122 Ca -0.01 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 2jkz h ALA 122 Cb 1.21 0.07 0.01 0.00 0.00 0.00 0.00 17.79 19.07 2jkz h ALA 122 CO 0.12 -0.35 -0.29 1.25 0.00 0.00 0.00 179.25 179.98 2jkz h LEU 123 N 0.17 -0.69 -0.25 0.00 5.85 -0.49 -2.41 115.31 117.50 2jkz h LEU 123 Ca 0.14 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.87 2jkz h LEU 123 Cb 0.15 0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.32 2jkz h LEU 123 CO -0.18 -0.43 -0.17 -1.28 -0.34 0.00 0.00 178.44 176.05 2jkz h SER 124 N -0.91 -0.60 -0.91 1.25 0.87 -0.67 0.10 113.55 112.68 2jkz h SER 124 Ca -0.08 0.09 0.15 0.00 -1.23 0.00 0.00 61.79 60.72 2jkz h SER 124 Cb 0.65 0.26 -0.09 0.00 -0.44 0.00 0.00 62.40 62.78 2jkz h SER 124 CO 0.14 -0.08 0.51 -0.33 -0.53 0.00 0.00 176.83 176.53 2jkz h GLU 125 N -0.03 0.69 -0.10 2.24 4.39 -0.42 0.49 114.58 121.85 2jkz h GLU 125 Ca 0.04 -0.04 -0.08 0.00 0.34 0.00 0.00 59.36 59.62 2jkz h GLU 125 Cb 0.13 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 2jkz h GLU 125 CO -0.25 0.46 -0.28 -0.07 -1.16 0.00 0.00 179.01 177.71 2jkz h LEU 126 N 0.71 0.18 -0.62 1.33 3.38 -0.78 -2.50 115.31 117.01 2jkz h LEU 126 Ca 0.49 -0.06 -0.13 0.00 0.09 0.00 0.00 57.88 58.28 2jkz h LEU 126 Cb 0.68 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 2jkz h LEU 126 CO -0.35 0.47 -0.26 -0.33 0.09 0.00 0.00 178.44 178.06 2jkz h GLU 127 N 0.16 0.82 -0.27 1.13 5.08 0.14 -2.21 114.58 119.43 2jkz h GLU 127 Ca 0.02 -0.35 0.02 0.00 -1.00 0.00 0.00 59.36 58.05 2jkz h GLU 127 Cb 0.60 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 2jkz h GLU 127 CO 0.04 0.98 0.13 0.87 -1.00 0.00 0.00 179.01 180.03 2jkz h LYS 128 N 0.70 0.26 -0.98 2.33 1.57 -0.92 -1.16 116.57 118.37 2jkz h LYS 128 Ca 0.09 -0.02 0.11 0.00 -1.87 0.00 0.00 60.65 58.96 2jkz h LYS 128 Cb 0.79 -0.06 -0.08 0.00 0.08 0.00 0.00 32.23 32.97 2jkz h LYS 128 CO 0.07 0.17 0.62 -0.44 -0.57 0.00 0.00 179.45 179.31 2jkz h ASP 129 N 0.27 0.91 0.54 0.86 3.32 -1.17 0.08 116.42 121.23 2jkz h ASP 129 Ca 0.11 0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.17 2jkz h ASP 129 Cb 0.04 -0.15 0.01 0.00 0.22 0.00 0.00 39.33 39.45 2jkz h ASP 129 CO -0.08 0.50 -0.26 0.00 -1.72 0.00 0.00 179.24 177.68 2jkz h ALA 130 N 1.53 -0.84 -0.66 3.45 0.00 -0.76 -2.18 119.26 119.81 2jkz h ALA 130 Ca 0.47 -0.16 0.16 0.00 0.00 0.00 0.00 54.91 55.38 2jkz h ALA 130 Cb 0.45 0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 2jkz h ALA 130 CO -0.24 -0.79 0.46 0.00 0.00 0.00 0.00 179.25 178.69 2jkz h ALA 131 N -1.37 2.33 0.00 0.00 0.00 -1.03 0.15 119.26 119.33 2jkz h ALA 131 Ca -0.07 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 2jkz h ALA 131 Cb 0.56 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 2jkz h ALA 131 CO 0.12 -0.51 -0.20 1.49 0.00 0.00 0.00 179.25 180.16 2jkz h GLU 132 N 0.21 0.00 0.16 0.00 4.81 -1.01 -2.65 114.58 116.10 2jkz h GLU 132 Ca 0.32 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 59.24 2jkz h GLU 132 Cb 0.96 0.00 0.03 0.00 0.63 0.00 0.00 28.75 30.38 2jkz h GLU 132 CO -0.06 0.12 -1.30 1.96 -0.73 0.00 0.00 179.01 178.99 2jkz h GLN 133 N 0.00 0.60 -0.40 1.92 4.20 -0.13 -2.82 115.11 118.47 2jkz h GLN 133 Ca -0.00 -0.86 0.05 0.00 0.06 0.00 0.00 58.65 57.89 2jkz h GLN 133 Cb 1.10 0.30 -0.04 0.00 0.30 0.00 0.00 27.48 29.13 2jkz h GLN 133 CO 0.02 1.40 0.15 0.00 -0.67 0.00 0.00 178.83 179.72 2jkz h ALA 134 N 0.24 0.47 0.48 3.87 0.00 -0.98 -1.97 119.26 121.36 2jkz h ALA 134 Ca -0.21 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 2jkz h ALA 134 Cb 1.98 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.79 2jkz h ALA 134 CO 0.25 -0.24 -0.31 0.87 0.00 0.00 0.00 179.25 179.82 2jkz h LYS 135 N 0.31 -0.71 -1.73 0.00 1.57 -1.52 -0.75 116.57 113.74 2jkz h LYS 135 Ca 0.18 0.05 0.51 0.00 -1.87 0.00 0.00 60.65 59.52 2jkz h LYS 135 Cb 0.16 0.16 -0.08 0.00 0.08 0.00 0.00 32.23 32.55 2jkz h LYS 135 CO -0.18 -0.47 1.24 0.00 -0.57 0.00 0.00 179.45 179.46 2jkz n ALA 136 N -2.50 1.67 1.27 3.86 0.00 -1.07 0.42 120.51 124.16 2jkz n ALA 136 Ca -0.09 0.61 0.13 0.00 0.00 0.00 0.00 53.44 54.10 2jkz n ALA 136 Cb 0.31 -1.02 0.41 0.00 0.00 0.00 0.00 19.45 19.15 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 -3.82 0.83 -0.53 0.00 3.00 -0.76 -4.92 118.16 111.96 2jkz n LYS 137 Ca 0.40 -0.46 0.00 0.00 -0.00 0.00 0.00 58.31 58.24 2jkz n LYS 137 Cb 1.79 -1.49 0.00 0.00 0.00 0.00 0.00 35.03 35.33 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 1.33 0.75 3.87 3.14 0.00 1.44 -5.06 105.19 110.66 2jkz n GLY 138 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.56 4.74 -0.32 -0.61 1.01 -0.34 -4.97 121.20 118.15 2jkz s ILE 139 Ca 0.00 0.72 0.03 0.00 0.00 0.00 0.00 60.65 61.40 2jkz s ILE 139 Cb 0.00 -3.80 0.09 0.00 0.01 0.00 0.00 42.46 38.77 2jkz s ILE 139 CO 0.00 -0.80 0.04 -0.62 0.00 0.00 0.00 174.94 173.55 2jkz s ASP 140 N -3.64 4.56 0.46 3.58 -1.08 -1.26 -4.18 116.67 115.11 2jkz s ASP 140 Ca 0.53 -1.95 0.25 0.00 -0.52 0.00 0.00 52.55 50.86 2jkz s ASP 140 Cb -0.10 -1.47 1.28 0.00 -1.46 0.00 0.00 42.92 41.16 2jkz s ASP 140 CO 0.41 -0.36 1.81 0.74 0.52 0.00 0.00 175.17 178.29 2jkz h THR 141 N 6.61 0.52 0.51 1.71 2.02 -1.94 -0.17 112.91 122.17 2jkz h THR 141 Ca -0.08 -0.08 -0.03 0.00 0.77 0.00 0.00 66.41 67.00 2jkz h THR 141 Cb 1.02 0.27 0.01 0.00 -1.74 0.00 0.00 68.15 67.71 2jkz h THR 141 CO 0.50 0.04 -0.25 -0.33 0.37 0.00 0.00 175.52 175.86 2jkz h GLU 142 N 0.23 -0.66 -0.35 6.66 4.39 -1.94 -2.83 114.58 120.08 2jkz h GLU 142 Ca 0.54 0.05 -0.01 0.00 0.34 0.00 0.00 59.36 60.28 2jkz h GLU 142 Cb 1.68 0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 30.46 2jkz h GLU 142 CO -0.16 -0.38 0.18 -0.22 -1.16 0.00 0.00 179.01 177.27 2jkz h LYS 143 N -1.11 0.50 -3.33 2.33 3.64 -1.92 -3.35 116.57 113.32 2jkz h LYS 143 Ca -0.07 -0.07 -0.65 0.00 -1.27 0.00 0.00 60.65 58.60 2jkz h LYS 143 Cb 0.58 -0.09 -0.40 0.00 -0.41 0.00 0.00 32.23 31.91 2jkz h LYS 143 CO 0.12 0.43 -0.54 0.45 -2.27 0.00 0.00 179.45 177.64 2jkz s SER 144 N -5.68 4.68 0.07 4.20 0.15 -0.11 -5.00 113.70 112.02 2jkz s SER 144 Ca -0.13 -3.25 -0.35 0.00 0.70 0.00 0.00 55.95 52.91 2jkz s SER 144 Cb 0.10 -1.69 -0.18 0.00 -1.71 0.00 0.00 66.02 62.54 2jkz s SER 144 CO 0.73 -0.21 1.54 -0.65 1.20 0.00 0.00 173.24 175.85 2jkz h PRO 145 N 6.26 -1.04 -1.05 5.44 0.11 -1.65 -3.13 132.00 136.94 2jkz h PRO 145 Ca 0.00 0.07 0.30 0.00 0.11 0.00 0.00 66.00 66.49 2jkz h PRO 145 Cb 0.86 0.24 -0.04 0.00 0.11 0.00 0.00 31.00 32.17 2jkz h PRO 145 CO 0.71 -0.70 0.94 -0.85 -0.21 0.00 0.00 178.00 177.90 2jkz n GLU 146 N -5.45 0.01 0.03 1.05 0.00 -1.26 0.14 120.64 115.15 2jkz n GLU 146 Ca -0.13 0.75 0.09 0.00 0.00 0.00 0.00 57.16 57.87 2jkz n GLU 146 Cb 0.47 -1.81 0.38 0.00 0.00 0.00 0.00 31.44 30.49 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 -2.99 0.05 -1.30 3.44 2.81 -1.18 -4.70 117.12 113.25 2jkz n MET 147 Ca 0.24 0.26 -0.32 0.00 -1.81 0.00 0.00 57.70 56.07 2jkz n MET 147 Cb 1.26 -1.60 0.09 0.00 -0.71 0.00 0.00 33.22 32.26 2jkz n MET 147 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 2jkz s LYS 148 N -3.08 2.16 -0.14 0.03 -2.85 0.36 -1.77 119.74 114.45 2jkz s LYS 148 Ca 0.07 1.35 -0.12 0.00 -1.00 0.00 0.00 55.97 56.27 2jkz s LYS 148 Cb 0.10 -1.87 -0.05 0.00 -2.06 0.00 0.00 37.83 33.95 2jkz s LYS 148 CO 0.33 -1.74 0.24 0.99 0.10 0.00 0.00 175.35 175.27 2jkz s THR 149 N -2.63 5.34 -0.33 3.79 2.01 -1.26 -3.74 115.64 118.81 2jkz s THR 149 Ca 0.65 0.44 -0.12 0.00 0.31 0.00 0.00 61.69 62.96 2jkz s THR 149 Cb -0.20 -3.56 -0.02 0.00 0.01 0.00 0.00 72.50 68.73 2jkz s THR 149 CO 0.52 0.46 0.22 0.20 -0.69 0.00 0.00 174.62 175.33 2jkz s ASN 150 N 0.01 5.97 -0.04 3.53 0.01 -1.00 -4.99 114.94 118.43 2jkz s ASN 150 Ca 0.15 -0.42 -0.12 0.00 -0.71 0.00 0.00 52.86 51.76 2jkz s ASN 150 Cb -0.13 -2.11 -0.05 0.00 0.41 0.00 0.00 41.25 39.37 2jkz s ASN 150 CO 0.04 -0.22 0.32 -0.36 -1.51 0.00 0.00 177.10 175.37 2jkz s PHE 151 N 1.71 3.68 0.15 2.20 0.40 -1.26 -1.10 117.98 123.76 2jkz s PHE 151 Ca 0.06 0.84 0.07 0.00 -0.60 0.00 0.00 56.93 57.30 2jkz s PHE 151 Cb -0.17 -2.18 -0.04 0.00 0.51 0.00 0.00 43.02 41.14 2jkz s PHE 151 CO 0.10 0.67 -0.16 0.20 0.70 0.00 0.00 175.22 176.73 2jkz s GLY 152 N -1.03 1.24 0.03 4.36 0.00 0.31 -4.92 107.32 107.31 2jkz s GLY 152 Ca 0.21 -1.42 0.06 0.00 0.00 0.00 0.00 44.72 43.57 2jkz s GLY 152 CO 0.10 -1.48 -0.18 -0.42 0.00 0.00 0.00 173.10 171.12 2jkz s ILE 153 N -2.25 1.45 -0.05 0.90 1.01 -0.04 0.13 121.20 122.36 2jkz s ILE 153 Ca 0.13 -1.03 -0.02 0.00 0.00 0.00 0.00 60.65 59.74 2jkz s ILE 153 Cb -0.04 -1.26 0.04 0.00 0.01 0.00 0.00 42.46 41.20 2jkz s ILE 153 CO 0.05 0.21 0.09 0.12 0.00 0.00 0.00 174.94 175.40 2jkz s PHE 154 N -0.70 -0.04 0.02 3.97 5.36 0.51 -0.70 117.98 126.39 2jkz s PHE 154 Ca 0.06 0.34 0.02 0.00 -0.96 0.00 0.00 56.93 56.38 2jkz s PHE 154 Cb -0.08 -0.29 -0.01 0.00 -0.34 0.00 0.00 43.02 42.30 2jkz s PHE 154 CO 0.01 -0.17 -0.06 0.14 -1.46 0.00 0.00 175.22 173.68 2jkz s VAL 155 N 1.67 0.46 0.03 3.12 -7.23 -0.56 -2.23 120.40 115.66 2jkz s VAL 155 Ca -0.02 -0.64 -0.24 0.00 -1.81 0.00 0.00 61.98 59.26 2jkz s VAL 155 Cb -0.12 -0.47 -0.18 0.00 0.56 0.00 0.00 36.38 36.18 2jkz s VAL 155 CO -0.04 -0.13 1.45 -0.07 -0.31 0.00 0.00 175.10 176.00 2jkz h LEU 156 N 5.27 0.03 -8.61 1.32 3.38 -0.84 0.49 115.31 116.35 2jkz h LEU 156 Ca -0.32 -0.30 -0.64 0.00 0.09 0.00 0.00 57.88 56.71 2jkz h LEU 156 Cb 1.20 -0.01 -0.27 0.00 0.09 0.00 0.00 40.66 41.67 2jkz h LEU 156 CO 0.45 0.32 -0.86 -1.00 0.09 0.00 0.00 178.44 177.45 2jkz s HIS 157 N -5.00 2.06 -0.30 1.13 3.76 -0.50 -1.12 115.29 115.32 2jkz s HIS 157 Ca -0.15 -0.39 -0.01 0.00 -0.15 0.00 0.00 55.06 54.36 2jkz s HIS 157 Cb 0.04 -1.26 0.10 0.00 1.11 0.00 0.00 32.58 32.57 2jkz s HIS 157 CO 0.67 0.07 0.09 0.34 -0.85 0.00 0.00 174.74 175.07 2jkz s ASP 158 N -1.04 3.99 0.21 1.40 2.15 -0.80 -0.27 116.67 122.30 2jkz s ASP 158 Ca 0.09 -1.60 -0.30 0.00 0.43 0.00 0.00 52.55 51.17 2jkz s ASP 158 Cb -0.09 -0.88 -0.10 0.00 -0.30 0.00 0.00 42.92 41.55 2jkz s ASP 158 CO 0.01 -0.40 1.44 -0.54 -0.17 0.00 0.00 175.17 175.51 2jkz s LYS 159 N 1.60 4.28 -0.40 4.34 1.02 -0.45 -2.04 119.74 128.09 2jkz s LYS 159 Ca 0.09 2.25 -0.19 0.00 0.02 0.00 0.00 55.97 58.14 2jkz s LYS 159 Cb -0.17 -3.15 0.01 0.00 -0.52 0.00 0.00 37.83 34.00 2jkz s LYS 159 CO -0.23 -0.43 0.54 1.14 -0.92 0.00 0.00 175.35 175.44 2jkz s GLN 160 N 0.14 3.36 0.00 1.68 -2.07 -0.98 -4.86 119.66 116.93 2jkz s GLN 160 Ca 0.62 -0.40 0.00 0.00 -1.82 0.00 0.00 55.36 53.75 2jkz s GLN 160 Cb -0.41 -3.90 0.00 0.00 -1.09 0.00 0.00 33.01 27.61 2jkz s GLN 160 CO 0.39 -0.83 0.00 0.36 -1.32 0.00 0.00 175.29 173.89 2jkz n LYS 161 N 5.88 0.00 -2.70 9.60 2.85 -1.26 -4.08 118.16 128.46 2jkz n LYS 161 Ca -0.04 0.00 -0.43 0.00 -1.05 0.00 0.00 58.31 56.79 2jkz n LYS 161 Cb 0.48 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.83 2jkz n LYS 161 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 2jkz s PRO 162 N -1.62 3.62 -0.05 -1.58 0.04 -1.26 -5.01 135.00 129.15 2jkz s PRO 162 Ca 0.00 0.36 -0.30 0.00 0.04 0.00 0.00 61.00 61.10 2jkz s PRO 162 Cb 0.00 -3.92 -0.03 0.00 0.04 0.00 0.00 34.50 30.59 2jkz s PRO 162 CO 0.00 -1.33 1.14 0.15 0.04 0.00 0.00 177.00 177.00 2jkz s LYS 163 N 4.18 4.39 -0.07 4.56 -0.14 -1.26 -4.91 119.74 126.48 2jkz s LYS 163 Ca 0.43 1.60 0.00 0.00 -1.36 0.00 0.00 55.97 56.64 2jkz s LYS 163 Cb -0.08 -3.52 0.09 0.00 -1.68 0.00 0.00 37.83 32.63 2jkz s LYS 163 CO 0.29 -0.37 1.34 1.63 -0.76 0.00 0.00 175.35 177.48 2jkz n LYS 164 N 4.92 1.19 0.00 1.68 5.02 -0.99 -4.83 118.16 125.16 2jkz n LYS 164 Ca 0.10 -0.43 0.00 0.00 -2.02 0.00 0.00 58.31 55.96 2jkz n LYS 164 Cb 0.47 -1.17 0.00 0.00 -0.02 0.00 0.00 35.03 34.31 2jkz n LYS 164 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2jkz n ALA 165 N 0.48 0.00 -2.96 7.82 0.00 -1.24 -4.80 120.51 119.81 2jkz n ALA 165 Ca 0.09 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.42 2jkz n ALA 165 Cb 0.63 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.02 2jkz n ALA 165 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2jkz s ASP 166 N 0.00 -0.14 -0.08 0.00 -1.08 -1.26 -4.74 116.67 109.36 2jkz s ASP 166 Ca 0.00 -0.26 -0.07 0.00 -0.52 0.00 0.00 52.55 51.70 2jkz s ASP 166 Cb 0.00 0.40 -0.04 0.00 -1.46 0.00 0.00 42.92 41.81 2jkz s ASP 166 CO 0.00 -0.70 0.18 -0.76 0.52 0.00 0.00 175.17 174.41 2jkz s LEU 167 N -2.37 4.39 -0.24 -1.34 1.43 -1.26 -4.85 118.68 114.44 2jkz s LEU 167 Ca -0.01 0.51 -0.43 0.00 -1.03 0.00 0.00 54.13 53.16 2jkz s LEU 167 Cb 0.01 -2.24 -0.20 0.00 0.03 0.00 0.00 46.19 43.79 2jkz s LEU 167 CO -0.07 0.37 1.35 -0.81 0.23 0.00 0.00 176.35 177.42 2jkz n PRO 168 N 1.76 0.09 -0.37 1.29 -0.04 -1.26 -4.63 135.00 131.84 2jkz n PRO 168 Ca -0.18 0.03 -0.10 0.00 -0.04 0.00 0.00 63.50 63.22 2jkz n PRO 168 Cb 0.54 -1.54 -0.09 0.00 -0.04 0.00 0.00 33.50 32.37 2jkz n PRO 168 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jkz h ALA 169 N 4.14 -0.50 -1.00 0.55 0.00 -1.98 -1.71 119.26 118.76 2jkz h ALA 169 Ca -0.48 0.11 0.22 0.00 0.00 0.00 0.00 54.91 54.76 2jkz h ALA 169 Cb 1.39 1.34 -0.10 0.00 0.00 0.00 0.00 17.79 20.42 2jkz h ALA 169 CO 0.82 -0.88 0.62 1.05 0.00 0.00 0.00 179.25 180.86 2jkz h GLU 170 N -0.01 0.61 0.22 0.00 9.09 -2.00 -1.03 114.58 121.46 2jkz h GLU 170 Ca 0.14 -0.04 -0.01 0.00 0.05 0.00 0.00 59.36 59.50 2jkz h GLU 170 Cb 0.38 -0.14 0.00 0.00 -1.65 0.00 0.00 28.75 27.34 2jkz h GLU 170 CO -0.84 0.40 -0.11 1.98 0.05 0.00 0.00 179.01 180.49 2jkz h MET 171 N 0.62 -0.29 -0.91 1.06 -1.53 -1.74 -2.21 114.93 109.94 2jkz h MET 171 Ca 0.58 0.02 0.26 0.00 -3.44 0.00 0.00 59.70 57.12 2jkz h MET 171 Cb 1.10 0.07 -0.04 0.00 -0.55 0.00 0.00 31.60 32.18 2jkz h MET 171 CO -0.36 -0.02 0.84 1.25 0.14 0.00 0.00 176.91 178.76 2jkz h LEU 172 N -1.01 0.00 0.00 3.39 5.85 -0.97 -1.78 115.31 120.78 2jkz h LEU 172 Ca -0.03 0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.50 2jkz h LEU 172 Cb 0.40 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.40 2jkz h LEU 172 CO 0.05 0.00 -1.02 -1.13 -0.34 0.00 0.00 178.44 176.00 2jkz h ASN 173 N 0.00 0.00 -2.35 1.25 -1.24 -1.23 -3.47 115.58 108.54 2jkz h ASN 173 Ca 0.43 -0.59 -0.54 0.00 0.71 0.00 0.00 56.30 56.31 2jkz h ASN 173 Cb 2.10 0.00 0.02 0.00 0.73 0.00 0.00 38.32 41.17 2jkz h ASN 173 CO -0.00 1.39 1.25 -0.62 -1.29 0.00 0.00 177.43 178.16 2jkz s ASP 174 N -6.73 6.36 0.00 1.15 2.15 -0.67 -4.85 116.67 114.08 2jkz s ASP 174 Ca -0.27 2.58 0.00 0.00 0.43 0.00 0.00 52.55 55.29 2jkz s ASP 174 Cb 0.04 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.13 2jkz s ASP 174 CO 0.60 -1.14 0.30 0.29 -0.17 0.00 0.00 175.17 175.06 2jkz n LYS 175 N 7.65 0.56 -0.28 4.34 4.76 -1.26 -2.10 118.16 131.83 2jkz n LYS 175 Ca 0.21 0.00 0.01 0.00 -2.87 0.00 0.00 58.31 55.66 2jkz n LYS 175 Cb 0.42 -1.26 0.02 0.00 -1.84 0.00 0.00 35.03 32.36 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 0.16 0.46 0.00 4.39 5.03 -1.26 -4.75 115.26 119.30 2jkz n ASN 176 Ca 0.00 -1.89 0.00 0.00 0.87 0.00 0.00 54.58 53.56 2jkz n ASN 176 Cb 0.13 -0.17 0.00 0.00 -1.02 0.00 0.00 39.78 38.72 2jkz n ASN 176 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2jkz n ARG 177 N -0.23 3.54 -3.66 3.52 1.74 -0.89 -4.32 116.66 116.36 2jkz n ARG 177 Ca 0.02 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 56.86 2jkz n ARG 177 Cb 0.61 -0.58 -0.17 0.00 -1.02 0.00 0.00 32.46 31.30 2jkz n ARG 177 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 2jkz s TYR 178 N -0.66 0.32 -0.10 -1.55 5.04 -1.17 -0.86 117.35 118.38 2jkz s TYR 178 Ca 0.00 -0.23 0.03 0.00 -2.44 0.00 0.00 57.07 54.42 2jkz s TYR 178 Cb 0.00 -0.70 -0.01 0.00 0.35 0.00 0.00 41.96 41.60 2jkz s TYR 178 CO 0.00 -0.43 -0.19 -0.06 -1.34 0.00 0.00 175.55 173.53 2jkz s PHE 179 N 2.09 2.66 -0.24 4.97 0.40 0.12 -4.73 117.98 123.25 2jkz s PHE 179 Ca 0.03 -0.77 0.01 0.00 -0.60 0.00 0.00 56.93 55.60 2jkz s PHE 179 Cb -0.15 -1.74 0.06 0.00 0.51 0.00 0.00 43.02 41.70 2jkz s PHE 179 CO -0.07 -0.26 -0.08 0.00 0.70 0.00 0.00 175.22 175.51 2jkz s ALA 180 N 0.19 2.17 0.28 5.36 0.00 -1.26 -1.49 121.76 127.01 2jkz s ALA 180 Ca -0.11 -1.48 -0.01 0.00 0.00 0.00 0.00 51.96 50.36 2jkz s ALA 180 Cb -0.16 -1.47 0.63 0.00 0.00 0.00 0.00 23.12 22.12 2jkz s ALA 180 CO 0.06 -1.16 1.62 0.00 0.00 0.00 0.00 175.76 176.28 2jkz h ALA 181 N 7.89 1.08 -2.68 0.00 0.00 -0.72 -3.40 119.26 121.43 2jkz h ALA 181 Ca -0.19 0.27 -0.13 0.00 0.00 0.00 0.00 54.91 54.86 2jkz h ALA 181 Cb 1.06 0.44 -0.22 0.00 0.00 0.00 0.00 17.79 19.07 2jkz h ALA 181 CO 0.43 -0.48 -0.28 0.21 0.00 0.00 0.00 179.25 179.13 2jkz s LYS 182 N -6.02 0.55 -0.23 0.00 2.20 -0.28 -4.95 119.74 111.02 2jkz s LYS 182 Ca -0.13 0.13 -0.07 0.00 -0.36 0.00 0.00 55.97 55.54 2jkz s LYS 182 Cb 0.26 0.25 -0.03 0.00 -1.51 0.00 0.00 37.83 36.80 2jkz s LYS 182 CO 0.77 -0.12 0.07 0.95 -0.36 0.00 0.00 175.35 176.65 2jkz s THR 183 N -0.62 4.47 0.05 3.43 -4.23 -1.26 -1.91 115.64 115.56 2jkz s THR 183 Ca -0.07 -0.13 0.02 0.00 -1.18 0.00 0.00 61.69 60.33 2jkz s THR 183 Cb -0.04 -3.07 -0.03 0.00 1.34 0.00 0.00 72.50 70.71 2jkz s THR 183 CO 0.03 0.37 -0.07 0.68 -0.54 0.00 0.00 174.62 175.09 2jkz s VAL 184 N 1.24 0.49 0.20 2.29 -7.23 -0.87 -4.94 120.40 111.58 2jkz s VAL 184 Ca 0.05 -1.19 -0.32 0.00 -1.81 0.00 0.00 61.98 58.71 2jkz s VAL 184 Cb -0.14 -0.73 -0.15 0.00 0.56 0.00 0.00 36.38 35.92 2jkz s VAL 184 CO 0.03 -0.48 1.13 -0.81 -0.31 0.00 0.00 175.10 174.67 2jkz n PRO 185 N 1.25 1.20 -1.52 4.82 -0.04 -1.26 -2.31 135.00 137.15 2jkz n PRO 185 Ca -0.21 0.43 -0.28 0.00 -0.04 0.00 0.00 63.50 63.40 2jkz n PRO 185 Cb 0.56 -1.90 -0.15 0.00 -0.04 0.00 0.00 33.50 31.96 2jkz n PRO 185 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2jkz n ASP 186 N 1.88 0.09 -2.95 3.54 -0.08 -1.26 -4.85 116.55 112.92 2jkz n ASP 186 Ca 0.14 -0.51 -0.15 0.00 -1.51 0.00 0.00 54.79 52.77 2jkz n ASP 186 Cb 0.26 -0.98 -0.03 0.00 2.34 0.00 0.00 41.12 42.71 2jkz n ASP 186 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2jkz n LYS 187 N 7.39 0.67 -3.87 -0.67 5.02 -1.26 -5.11 118.16 120.32 2jkz n LYS 187 Ca 0.60 -2.75 -0.36 0.00 -2.02 0.00 0.00 58.31 53.78 2jkz n LYS 187 Cb 0.21 2.62 -0.12 0.00 -0.02 0.00 0.00 35.03 37.72 2jkz n LYS 187 CO 0.00 0.00 0.00 -0.46 -0.52 0.00 0.00 177.40 176.42 2jkz s TRP 188 N -3.00 3.10 -0.20 2.13 -0.11 -1.26 -5.04 118.94 114.57 2jkz s TRP 188 Ca 0.29 -0.36 -0.09 0.00 1.22 0.00 0.00 56.10 57.16 2jkz s TRP 188 Cb -0.01 -2.18 -0.05 0.00 -1.50 0.00 0.00 33.47 29.73 2jkz s TRP 188 CO 0.21 -0.26 0.11 0.71 -4.62 0.00 0.00 176.95 173.09 2jkz s TYR 189 N 1.30 3.34 -0.31 5.86 1.51 -1.26 -1.29 117.35 126.49 2jkz s TYR 189 Ca 0.05 0.21 -0.11 0.00 -1.01 0.00 0.00 57.07 56.21 2jkz s TYR 189 Cb -0.15 -2.14 -0.02 0.00 -0.11 0.00 0.00 41.96 39.54 2jkz s TYR 189 CO 0.03 0.21 0.19 0.00 -1.11 0.00 0.00 175.55 174.87 2jkz s ALA 190 N 0.44 3.42 0.01 3.71 0.00 -0.16 -4.94 121.76 124.24 2jkz s ALA 190 Ca 0.06 -1.30 -0.21 0.00 0.00 0.00 0.00 51.96 50.51 2jkz s ALA 190 Cb -0.12 -2.50 -0.06 0.00 0.00 0.00 0.00 23.12 20.44 2jkz s ALA 190 CO -0.01 -0.83 0.60 0.71 0.00 0.00 0.00 175.76 176.24 2jkz s TYR 191 N 1.69 3.71 0.19 0.00 2.02 -1.26 -1.72 117.35 121.98 2jkz s TYR 191 Ca 0.06 1.23 -0.04 0.00 -0.37 0.00 0.00 57.07 57.94 2jkz s TYR 191 Cb -0.17 -2.60 0.34 0.00 -0.40 0.00 0.00 41.96 39.13 2jkz s TYR 191 CO 0.09 0.39 1.03 -0.35 -1.57 0.00 0.00 175.55 175.14 2jkz n PRO 192 N 2.55 -0.06 0.00 -1.71 -0.04 -1.12 0.85 135.00 135.47 2jkz n PRO 192 Ca -0.07 1.02 0.00 0.00 -0.04 0.00 0.00 63.50 64.41 2jkz n PRO 192 Cb 0.51 -1.54 0.02 0.00 -0.04 0.00 0.00 33.50 32.45 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 -5.04 0.00 -0.06 0.54 2.14 -1.26 -2.43 117.44 111.33 2jkz n TRP 193 Ca 0.11 0.00 -0.05 0.00 2.07 0.00 0.00 57.50 59.63 2jkz n TRP 193 Cb 0.36 0.00 -0.10 0.00 -0.81 0.00 0.00 31.31 30.76 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 -0.52 1.95 -2.06 -2.67 1.02 0.25 -5.03 120.64 113.58 2jkz n GLU 194 Ca 0.00 -0.01 -0.39 0.00 -0.02 0.00 0.00 57.16 56.75 2jkz n GLU 194 Cb 0.00 -1.31 0.00 0.00 -0.02 0.00 0.00 31.44 30.11 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 -4.45 6.09 -0.02 1.62 0.15 -1.02 -4.95 113.70 111.12 2jkz s SER 195 Ca -0.06 2.59 0.17 0.00 0.70 0.00 0.00 55.95 59.35 2jkz s SER 195 Cb 0.04 -2.63 0.52 0.00 -1.71 0.00 0.00 66.02 62.24 2jkz s SER 195 CO 0.50 -0.99 1.44 0.35 1.20 0.00 0.00 173.24 175.73 2jkz n THR 196 N -0.22 1.13 -2.88 6.45 -2.24 -1.26 -4.54 114.28 110.72 2jkz n THR 196 Ca 0.06 -1.05 -0.09 0.00 -2.27 0.00 0.00 64.05 60.70 2jkz n THR 196 Cb 0.45 0.44 -0.01 0.00 -2.10 0.00 0.00 70.33 69.11 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 1.09 -2.80 -0.29 3.42 -0.08 -1.26 -5.02 116.55 111.61 2jkz n ASP 197 Ca 0.20 -2.87 0.12 0.00 -1.51 0.00 0.00 54.79 50.72 2jkz n ASP 197 Cb 0.58 1.32 0.36 0.00 2.34 0.00 0.00 41.12 45.72 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 0.82 -0.17 5.18 6.09 -1.92 -1.73 117.51 130.36 2jkz h ILE 198 Ca 0.07 -0.25 0.03 0.00 -1.37 0.00 0.00 64.86 63.33 2jkz h ILE 198 Cb 1.06 0.02 -0.03 0.00 0.47 0.00 0.00 36.82 38.35 2jkz h ILE 198 CO 0.12 0.13 0.01 0.58 -3.07 0.00 0.00 178.15 175.93 2jkz h VAL 199 N 0.73 0.89 0.71 2.19 2.07 -1.98 0.61 116.25 121.47 2jkz h VAL 199 Ca 0.48 -0.02 -0.03 0.00 0.82 0.00 0.00 66.70 67.94 2jkz h VAL 199 Cb 0.74 0.81 0.01 0.00 -1.52 0.00 0.00 31.29 31.33 2jkz h VAL 199 CO -0.24 0.01 -0.34 0.15 0.02 0.00 0.00 177.57 177.17 2jkz h PHE 200 N 0.07 -0.89 -0.84 1.57 3.57 -1.88 -1.07 116.94 117.48 2jkz h PHE 200 Ca 0.08 -0.02 0.17 0.00 3.53 0.00 0.00 57.97 61.73 2jkz h PHE 200 Cb 0.09 0.29 -0.16 0.00 2.79 0.00 0.00 35.95 38.97 2jkz h PHE 200 CO -0.16 -0.52 -0.19 1.25 -2.23 0.00 0.00 178.31 176.46 2jkz h HIS 201 N -1.10 -0.40 0.36 0.41 2.76 -1.12 0.15 115.15 116.21 2jkz h HIS 201 Ca -0.10 0.07 -0.02 0.00 -2.20 0.00 0.00 60.37 58.13 2jkz h HIS 201 Cb 0.76 0.31 0.00 0.00 1.55 0.00 0.00 27.41 30.03 2jkz h HIS 201 CO -0.01 -0.35 -0.17 1.15 -1.30 0.00 0.00 177.93 177.25 2jkz h THR 202 N 0.01 0.66 -0.59 6.26 2.02 0.32 -0.68 112.91 120.90 2jkz h THR 202 Ca 0.41 -0.30 0.12 0.00 0.77 0.00 0.00 66.41 67.41 2jkz h THR 202 Cb 0.64 0.81 -0.11 0.00 -1.74 0.00 0.00 68.15 67.75 2jkz h THR 202 CO -0.85 0.06 -0.14 -0.09 0.37 0.00 0.00 175.52 174.87 2jkz h ARG 203 N -0.65 0.01 0.42 6.66 2.43 0.31 0.37 114.38 123.92 2jkz h ARG 203 Ca -0.05 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.11 2jkz h ARG 203 Cb 0.46 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.99 2jkz h ARG 203 CO 0.08 0.00 -0.48 0.52 -1.51 0.00 0.00 179.97 178.58 2jkz h MET 204 N 0.01 -0.89 -0.69 0.20 2.86 -0.67 -1.56 114.93 114.18 2jkz h MET 204 Ca 0.29 0.06 0.15 0.00 -2.06 0.00 0.00 59.70 58.14 2jkz h MET 204 Cb 0.44 0.20 -0.12 0.00 0.06 0.00 0.00 31.60 32.18 2jkz h MET 204 CO -0.61 -0.59 -0.03 0.00 1.06 0.00 0.00 176.91 176.74 2jkz h ALA 205 N -0.70 0.65 -0.52 6.32 0.00 0.09 0.15 119.26 125.26 2jkz h ALA 205 Ca -0.04 0.23 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 2jkz h ALA 205 Cb 0.82 0.41 -0.03 0.00 0.00 0.00 0.00 17.79 19.00 2jkz h ALA 205 CO -0.10 -0.41 0.26 0.82 0.00 0.00 0.00 179.25 179.82 2jkz h ILE 206 N 0.09 1.17 0.00 0.00 2.04 -0.65 0.10 117.51 120.26 2jkz h ILE 206 Ca 0.36 -0.46 0.00 0.00 1.00 0.00 0.00 64.86 65.76 2jkz h ILE 206 Cb 0.61 0.50 0.00 0.00 -0.74 0.00 0.00 36.82 37.19 2jkz h ILE 206 CO -0.63 0.19 0.00 -0.33 0.00 0.00 0.00 178.15 177.39 2jkz h GLU 207 N 0.72 0.00 -0.36 2.37 5.08 0.30 -2.74 114.58 119.94 2jkz h GLU 207 Ca 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 2jkz h GLU 207 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 2jkz h GLU 207 CO -0.03 0.00 0.00 1.04 -1.00 0.00 0.00 179.01 179.02 2jkz n GLN 208 N -2.75 2.35 -1.00 2.33 6.02 -0.60 -4.95 117.38 118.77 2jkz n GLN 208 Ca 0.02 -2.15 -0.00 0.00 -0.01 0.00 0.00 57.00 54.85 2jkz n GLN 208 Cb 0.30 -1.45 -0.00 0.00 1.02 0.00 0.00 30.24 30.11 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 1.26 0.48 2.27 1.08 0.00 -0.99 -4.95 105.19 104.34 2jkz n GLY 209 Ca 0.17 -0.18 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 0.30 7.07 0.00 1.61 3.02 -0.08 -4.83 115.26 122.36 2jkz n ASN 210 Ca -0.00 -3.45 0.00 0.00 -0.03 0.00 0.00 54.58 51.10 2jkz n ASN 210 Cb 0.01 -1.06 0.00 0.00 -0.61 0.00 0.00 39.78 38.12 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 -0.16 0.00 -4.36 6.41 2.03 -1.26 -3.06 116.55 116.15 2jkz n ASP 211 Ca 0.48 0.00 -0.29 0.00 0.52 0.00 0.00 54.79 55.50 2jkz n ASP 211 Cb 0.56 0.00 0.18 0.00 -0.72 0.00 0.00 41.12 41.14 2jkz n ASP 211 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 2jkz s ILE 212 N 4.10 1.89 0.00 5.18 -4.36 -1.26 -4.48 121.20 122.27 2jkz s ILE 212 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 60.65 60.39 2jkz s ILE 212 Cb 0.00 -2.72 0.00 0.00 1.25 0.00 0.00 42.46 40.99 2jkz s ILE 212 CO 0.00 0.00 0.02 2.22 0.24 0.00 0.00 174.94 177.42 2jkz n PHE 213 N -4.06 0.00 -3.60 1.37 1.16 -1.26 -5.02 117.46 106.05 2jkz n PHE 213 Ca 0.10 0.00 -0.27 0.00 -1.87 0.00 0.00 57.45 55.41 2jkz n PHE 213 Cb 0.59 0.11 -0.11 0.00 -1.61 0.00 0.00 39.48 38.47 2jkz n PHE 213 CO 0.00 0.00 0.00 -0.89 -1.87 0.00 0.00 176.76 174.00 2jkz n ILE 214 N 0.00 0.21 -0.93 1.97 5.41 -1.26 -5.12 119.36 119.63 2jkz n ILE 214 Ca 0.00 -4.16 -0.31 0.00 1.00 0.00 0.00 62.75 59.28 2jkz n ILE 214 Cb 0.42 -1.92 0.02 0.00 -0.71 0.00 0.00 39.64 37.45 2jkz n ILE 214 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 2jkz n PRO 215 N 2.29 0.00 -0.42 0.38 -0.04 -1.26 -4.93 135.00 131.02 2jkz n PRO 215 Ca 0.25 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.52 2jkz n PRO 215 Cb 0.42 -0.82 0.19 0.00 -0.04 0.00 0.00 33.50 33.25 2jkz n PRO 215 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2jkz n GLU 216 N 1.63 -3.09 0.00 0.54 2.13 -1.26 -5.26 120.64 115.32 2jkz n GLU 216 Ca 0.03 -0.92 0.01 0.00 0.66 0.00 0.00 57.16 56.94 2jkz n GLU 216 Cb 0.42 -1.58 0.01 0.00 0.27 0.00 0.00 31.44 30.56 2jkz n GLU 216 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76