#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jkd s HIS 52 N 0.00 3.76 -0.21 5.64 5.65 -1.26 -5.06 115.29 123.81 2jkd s HIS 52 Ca 0.00 1.74 -0.03 0.00 0.25 0.00 0.00 55.06 57.03 2jkd s HIS 52 Cb 0.00 -3.13 -0.00 0.00 -1.18 0.00 0.00 32.58 28.27 2jkd s HIS 52 CO 0.00 -0.06 -0.07 0.08 -0.65 0.00 0.00 174.74 174.04 2jkd s VAL 53 N -0.27 3.16 0.36 0.89 1.01 -1.26 -5.10 120.40 119.19 2jkd s VAL 53 Ca 0.47 -0.57 -0.27 0.00 0.00 0.00 0.00 61.98 61.61 2jkd s VAL 53 Cb -0.26 -2.42 -0.09 0.00 0.00 0.00 0.00 36.38 33.61 2jkd s VAL 53 CO 0.32 0.45 1.25 -1.61 0.00 0.00 0.00 175.10 175.51 2jkd s GLU 54 N 1.35 4.22 0.86 2.72 2.02 -1.26 -5.03 118.70 123.58 2jkd s GLU 54 Ca 0.04 2.07 -0.10 0.00 0.02 0.00 0.00 54.97 57.00 2jkd s GLU 54 Cb -0.14 -2.91 0.11 0.00 0.10 0.00 0.00 34.13 31.28 2jkd s GLU 54 CO -0.04 -0.25 1.11 -1.25 0.02 0.00 0.00 175.26 174.85 2jkd s PRO 55 N -1.98 1.52 0.38 0.39 0.04 -1.26 -4.94 135.00 129.15 2jkd s PRO 55 Ca 0.52 1.31 0.07 0.00 0.04 0.00 0.00 61.00 62.94 2jkd s PRO 55 Cb -0.36 -1.80 0.78 0.00 0.04 0.00 0.00 34.50 33.16 2jkd s PRO 55 CO 0.47 -2.20 1.98 1.96 0.04 0.00 0.00 177.00 179.25 2jkd h GLN 56 N -1.55 0.68 -0.65 4.56 1.08 -2.02 -2.56 115.11 114.65 2jkd h GLN 56 Ca -0.44 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 56.72 2jkd h GLN 56 Cb 1.25 -0.15 0.00 0.00 -0.05 0.00 0.00 27.48 28.53 2jkd h GLN 56 CO 0.47 0.45 0.00 -0.40 -0.95 0.00 0.00 178.83 178.40 2jkd n ASP 57 N -4.47 3.10 -4.77 1.46 5.68 -1.26 -4.94 116.55 111.34 2jkd n ASP 57 Ca 0.09 -2.33 -0.41 0.00 -0.50 0.00 0.00 54.79 51.64 2jkd n ASP 57 Cb 0.21 -0.49 -0.01 0.00 -1.14 0.00 0.00 41.12 39.70 2jkd n ASP 57 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2jkd s ALA 58 N -1.79 3.59 -0.12 2.12 0.00 -0.97 -0.18 121.76 124.40 2jkd s ALA 58 Ca 0.29 1.50 -0.21 0.00 0.00 0.00 0.00 51.96 53.53 2jkd s ALA 58 Cb 0.20 -3.59 0.05 0.00 0.00 0.00 0.00 23.12 19.78 2jkd s ALA 58 CO 0.12 -0.95 0.53 -1.50 0.00 0.00 0.00 175.76 173.96 2jkd s ILE 59 N -0.89 0.01 0.37 0.00 2.07 -0.97 -4.78 121.20 117.02 2jkd s ILE 59 Ca 0.54 -0.10 -0.20 0.00 -1.41 0.00 0.00 60.65 59.48 2jkd s ILE 59 Cb -0.45 -0.79 -0.10 0.00 0.13 0.00 0.00 42.46 41.25 2jkd s ILE 59 CO 0.58 -0.06 0.88 -0.94 -1.91 0.00 0.00 174.94 173.48 2jkd s SER 60 N -0.45 6.95 0.25 4.50 1.04 -1.26 -4.27 113.70 120.45 2jkd s SER 60 Ca -0.06 1.58 -0.04 0.00 0.48 0.00 0.00 55.95 57.91 2jkd s SER 60 Cb -0.03 -2.49 0.38 0.00 0.10 0.00 0.00 66.02 63.98 2jkd s SER 60 CO 0.04 -0.26 1.84 -0.65 0.98 0.00 0.00 173.24 175.19 2jkd h PRO 61 N 2.25 0.89 -0.14 4.02 0.11 -1.71 -1.78 132.00 135.63 2jkd h PRO 61 Ca -0.48 -0.05 0.05 0.00 0.11 0.00 0.00 66.00 65.62 2jkd h PRO 61 Cb 1.18 -0.20 -0.06 0.00 0.11 0.00 0.00 31.00 32.03 2jkd h PRO 61 CO 0.63 0.59 -0.27 -0.44 -0.21 0.00 0.00 178.00 178.30 2jkd h ASP 62 N 0.91 -0.84 -0.66 -2.05 3.32 -1.53 -1.10 116.42 114.47 2jkd h ASP 62 Ca 0.40 0.13 0.01 0.00 0.02 0.00 0.00 57.03 57.59 2jkd h ASP 62 Cb 0.27 0.37 -0.03 0.00 0.22 0.00 0.00 39.33 40.16 2jkd h ASP 62 CO -0.21 -0.32 0.43 0.78 -1.72 0.00 0.00 179.24 178.21 2jkd h ASN 63 N -0.34 0.74 -0.07 6.45 2.35 -1.72 0.45 115.58 123.44 2jkd h ASN 63 Ca 0.10 -0.02 0.01 0.00 -0.55 0.00 0.00 56.30 55.84 2jkd h ASN 63 Cb 0.49 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.67 2jkd h ASN 63 CO -0.33 0.53 0.02 0.22 -1.65 0.00 0.00 177.43 176.22 2jkd h TYR 64 N 0.88 0.04 -0.31 1.19 5.03 -1.10 -2.07 116.97 120.62 2jkd h TYR 64 Ca 0.25 0.00 -0.10 0.00 2.58 0.00 0.00 58.73 61.45 2jkd h TYR 64 Cb -0.08 -0.01 -0.01 0.00 1.55 0.00 0.00 36.73 38.18 2jkd h TYR 64 CO -0.03 0.02 -0.24 0.52 -1.32 0.00 0.00 178.16 177.11 2jkd h MET 65 N 0.05 0.61 -0.22 1.82 2.86 -1.03 -3.00 114.93 116.03 2jkd h MET 65 Ca 0.03 -0.24 0.05 0.00 -2.06 0.00 0.00 59.70 57.48 2jkd h MET 65 Cb 0.02 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 31.60 2jkd h MET 65 CO -0.03 0.80 -0.07 -0.44 1.06 0.00 0.00 176.91 178.23 2jkd h ASP 66 N 0.54 -0.24 -0.58 1.22 3.32 -0.63 -2.36 116.42 117.68 2jkd h ASP 66 Ca 0.08 0.07 0.12 0.00 0.02 0.00 0.00 57.03 57.32 2jkd h ASP 66 Cb 0.70 0.15 -0.03 0.00 0.22 0.00 0.00 39.33 40.37 2jkd h ASP 66 CO 0.05 -0.09 0.40 0.24 -1.72 0.00 0.00 179.24 178.12 2jkd h MET 67 N -0.02 0.26 -0.00 3.56 2.86 -1.24 0.35 114.93 120.70 2jkd h MET 67 Ca 0.11 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.74 2jkd h MET 67 Cb 0.19 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.79 2jkd h MET 67 CO -0.24 0.17 -0.01 1.28 1.06 0.00 0.00 176.91 179.17 2jkd n LEU 68 N -4.45 0.47 -2.93 1.22 4.77 -0.90 -4.94 117.00 110.24 2jkd n LEU 68 Ca 0.10 -0.14 -0.20 0.00 -0.03 0.00 0.00 56.01 55.73 2jkd n LEU 68 Cb 0.46 -0.02 0.05 0.00 -2.33 0.00 0.00 43.42 41.58 2jkd n LEU 68 CO 0.35 0.08 0.10 0.61 -1.33 0.00 0.00 177.39 177.20 2jkd n GLY 69 N 1.07 -0.37 3.67 -0.72 0.00 0.11 -4.99 105.19 103.96 2jkd n GLY 69 Ca 0.22 0.08 -0.38 0.00 0.00 0.00 0.00 46.02 45.94 2jkd n GLY 69 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jkd s LEU 70 N -6.23 4.14 0.83 0.99 1.43 -1.19 -5.07 118.68 113.58 2jkd s LEU 70 Ca 0.38 0.37 -0.13 0.00 -1.03 0.00 0.00 54.13 53.72 2jkd s LEU 70 Cb -0.17 -2.37 0.08 0.00 0.03 0.00 0.00 46.19 43.77 2jkd s LEU 70 CO 0.47 -0.03 1.09 -0.62 0.23 0.00 0.00 176.35 177.50 2jkd n GLU 71 N 4.43 0.04 -0.35 1.70 -0.58 -1.26 -4.81 120.64 119.81 2jkd n GLU 71 Ca -0.11 0.09 0.10 0.00 -0.42 0.00 0.00 57.16 56.82 2jkd n GLU 71 Cb 0.51 -2.35 0.27 0.00 -0.57 0.00 0.00 31.44 29.31 2jkd n GLU 71 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2jkd h ALA 72 N -1.09 1.56 0.00 0.62 0.00 -1.97 -0.25 119.26 118.12 2jkd h ALA 72 Ca -0.45 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2jkd h ALA 72 Cb 1.30 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2jkd h ALA 72 CO 0.44 0.06 0.00 0.07 0.00 0.00 0.00 179.25 179.82 2jkd h ARG 73 N 0.85 0.00 -0.55 0.00 0.11 -1.90 -2.71 114.38 110.17 2jkd h ARG 73 Ca 0.53 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.61 2jkd h ARG 73 Cb 0.70 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.78 2jkd h ARG 73 CO -0.33 0.00 0.00 -0.25 0.10 0.00 0.00 179.97 179.49 2jkd n ASP 74 N -2.57 3.50 -4.76 0.08 8.00 -0.11 -4.97 116.55 115.72 2jkd n ASP 74 Ca 0.00 -1.99 -0.27 0.00 0.71 0.00 0.00 54.79 53.25 2jkd n ASP 74 Cb 0.19 -0.37 -0.06 0.00 -0.02 0.00 0.00 41.12 40.87 2jkd n ASP 74 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2jkd s ARG 75 N -1.03 2.77 -0.10 -1.24 0.52 -1.02 -4.88 118.95 113.97 2jkd s ARG 75 Ca 0.38 -0.90 -0.20 0.00 -0.52 0.00 0.00 55.73 54.48 2jkd s ARG 75 Cb 0.20 -2.58 -0.04 0.00 0.52 0.00 0.00 34.95 33.05 2jkd s ARG 75 CO 0.26 0.49 0.57 0.99 0.02 0.00 0.00 175.30 177.63 2jkd s THR 76 N -1.69 5.13 0.22 0.02 2.01 -1.26 -4.72 115.64 115.34 2jkd s THR 76 Ca 0.30 1.16 0.09 0.00 0.31 0.00 0.00 61.69 63.55 2jkd s THR 76 Cb -0.10 -3.91 -0.04 0.00 0.01 0.00 0.00 72.50 68.45 2jkd s THR 76 CO 0.22 0.29 -0.04 -0.04 -0.69 0.00 0.00 174.62 174.36 2jkd s MET 77 N 0.75 2.23 -0.02 4.92 1.00 0.59 -4.94 119.30 123.82 2jkd s MET 77 Ca 0.31 -1.32 0.06 0.00 0.00 0.00 0.00 55.69 54.74 2jkd s MET 77 Cb -0.16 -2.19 -0.01 0.00 0.00 0.00 0.00 34.83 32.46 2jkd s MET 77 CO 0.13 0.40 -0.21 0.71 0.00 0.00 0.00 175.02 176.06 2jkd s TYR 78 N -2.02 1.90 0.04 -0.03 2.02 -1.26 0.10 117.35 118.11 2jkd s TYR 78 Ca 0.29 -0.41 -0.00 0.00 -0.37 0.00 0.00 57.07 56.57 2jkd s TYR 78 Cb -0.08 -1.24 -0.03 0.00 -0.40 0.00 0.00 41.96 40.22 2jkd s TYR 78 CO 0.18 -0.07 -0.04 -1.21 -1.57 0.00 0.00 175.55 172.84 2jkd s GLU 79 N -0.37 0.49 -0.26 -0.62 2.02 -0.72 -0.54 118.70 118.70 2jkd s GLU 79 Ca 0.05 -0.93 -0.00 0.00 0.02 0.00 0.00 54.97 54.11 2jkd s GLU 79 Cb -0.09 0.09 0.04 0.00 0.10 0.00 0.00 34.13 34.27 2jkd s GLU 79 CO 0.00 -0.06 -0.06 -1.17 0.02 0.00 0.00 175.26 173.98 2jkd s LEU 80 N -2.19 3.42 -0.29 1.80 2.96 -0.01 -0.76 118.68 123.61 2jkd s LEU 80 Ca -0.04 -1.12 -0.11 0.00 -0.22 0.00 0.00 54.13 52.64 2jkd s LEU 80 Cb -0.01 -1.64 -0.04 0.00 0.50 0.00 0.00 46.19 45.00 2jkd s LEU 80 CO -0.05 -0.18 0.19 -0.69 -1.32 0.00 0.00 176.35 174.30 2jkd s VAL 81 N 1.24 5.23 -0.19 1.68 1.01 0.40 -0.89 120.40 128.88 2jkd s VAL 81 Ca -0.04 0.07 -0.09 0.00 0.00 0.00 0.00 61.98 61.93 2jkd s VAL 81 Cb -0.18 -3.52 -0.05 0.00 0.00 0.00 0.00 36.38 32.63 2jkd s VAL 81 CO -0.04 0.21 0.10 -0.63 0.00 0.00 0.00 175.10 174.75 2jkd s ILE 82 N 1.74 5.18 -0.07 2.22 1.09 0.26 0.18 121.20 131.80 2jkd s ILE 82 Ca 0.07 0.11 0.02 0.00 -1.10 0.00 0.00 60.65 59.75 2jkd s ILE 82 Cb -0.16 -3.35 -0.02 0.00 -1.06 0.00 0.00 42.46 37.87 2jkd s ILE 82 CO 0.10 0.46 -0.14 -0.31 -0.10 0.00 0.00 174.94 174.96 2jkd s TYR 83 N 0.24 2.74 -0.70 3.97 2.02 -0.31 0.48 117.35 125.79 2jkd s TYR 83 Ca 0.07 -0.27 -0.25 0.00 -0.37 0.00 0.00 57.07 56.25 2jkd s TYR 83 Cb -0.12 -1.69 0.05 0.00 -0.40 0.00 0.00 41.96 39.80 2jkd s TYR 83 CO -0.01 0.09 1.14 0.50 -1.57 0.00 0.00 175.55 175.70 2jkd s ARG 84 N -0.46 3.17 0.30 -0.62 3.52 -1.26 -1.29 118.95 122.31 2jkd s ARG 84 Ca 0.06 -0.48 0.01 0.00 -0.13 0.00 0.00 55.73 55.19 2jkd s ARG 84 Cb -0.12 -4.19 0.71 0.00 -1.56 0.00 0.00 34.95 29.79 2jkd s ARG 84 CO 0.02 -1.99 1.58 -0.22 -0.81 0.00 0.00 175.30 173.88 2jkd h LYS 85 N 9.81 0.03 -0.79 5.12 3.64 -0.65 -2.31 116.57 131.42 2jkd h LYS 85 Ca -0.28 -0.00 0.15 0.00 -1.27 0.00 0.00 60.65 59.24 2jkd h LYS 85 Cb 1.06 -0.01 -0.10 0.00 -0.41 0.00 0.00 32.23 32.78 2jkd h LYS 85 CO 1.23 0.02 0.35 -2.95 -2.27 0.00 0.00 179.45 175.83 2jkd h ASN 86 N 0.03 0.36 -1.97 4.20 -1.07 -1.92 -3.38 115.58 111.83 2jkd h ASN 86 Ca 0.58 0.11 -0.25 0.00 0.07 0.00 0.00 56.30 56.80 2jkd h ASN 86 Cb 1.16 0.06 -0.31 0.00 -2.07 0.00 0.00 38.32 37.16 2jkd h ASN 86 CO -0.89 0.14 -0.58 1.51 0.07 0.00 0.00 177.43 177.68 2jkd s ASP 87 N -5.36 0.98 0.00 6.14 1.47 -0.87 -4.99 116.67 114.04 2jkd s ASP 87 Ca -0.12 -0.45 0.28 0.00 1.18 0.00 0.00 52.55 53.44 2jkd s ASP 87 Cb 0.21 0.81 1.12 0.00 -0.34 0.00 0.00 42.92 44.72 2jkd s ASP 87 CO 0.77 -0.36 1.82 0.29 0.68 0.00 0.00 175.17 178.37 2jkd n LYS 88 N 5.33 0.25 0.29 2.11 5.02 -1.23 -4.05 118.16 125.89 2jkd n LYS 88 Ca -0.01 -0.07 0.19 0.00 -2.02 0.00 0.00 58.31 56.39 2jkd n LYS 88 Cb 0.48 -1.50 0.99 0.00 -0.02 0.00 0.00 35.03 34.98 2jkd n LYS 88 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2jkd h ASP 89 N 0.16 0.00 -0.62 4.39 3.32 -1.94 -1.83 116.42 119.90 2jkd h ASP 89 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2jkd h ASP 89 Cb 0.43 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.98 2jkd h ASP 89 CO 0.00 0.00 0.00 0.29 -1.72 0.00 0.00 179.24 177.81 2jkd n LYS 90 N -2.82 3.01 0.00 3.56 4.76 -1.26 -5.06 118.16 120.35 2jkd n LYS 90 Ca -0.02 -2.47 0.00 0.00 -2.87 0.00 0.00 58.31 52.94 2jkd n LYS 90 Cb 0.11 -1.68 0.00 0.00 -1.84 0.00 0.00 35.03 31.62 2jkd n LYS 90 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2jkd n GLY 91 N 1.29 -0.77 3.70 0.72 0.00 -0.69 -4.94 105.19 104.50 2jkd n GLY 91 Ca 0.23 -1.71 -0.43 0.00 0.00 0.00 0.00 46.02 44.10 2jkd n GLY 91 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2jkd n PRO 92 N -0.74 2.20 0.11 1.61 -0.02 -1.26 -4.78 135.00 132.11 2jkd n PRO 92 Ca 0.00 0.78 -0.02 0.00 -2.02 0.00 0.00 63.50 62.23 2jkd n PRO 92 Cb 0.00 -2.42 0.20 0.00 -0.02 0.00 0.00 33.50 31.26 2jkd n PRO 92 CO 0.00 0.00 0.00 2.35 1.98 0.00 0.00 175.50 179.83 2jkd h TRP 93 N 3.48 0.20 -1.58 6.00 7.01 -0.31 -3.47 115.95 127.28 2jkd h TRP 93 Ca -0.46 -0.06 0.12 0.00 2.11 0.00 0.00 58.89 60.59 2jkd h TRP 93 Cb 1.27 -0.04 -0.22 0.00 -2.10 0.00 0.00 29.16 28.07 2jkd h TRP 93 CO 0.54 0.63 0.61 0.21 -2.79 0.00 0.00 178.44 177.64 2jkd s LYS 94 N -3.95 0.54 -0.07 2.65 2.20 -1.12 -5.01 119.74 114.96 2jkd s LYS 94 Ca -0.04 0.06 0.02 0.00 -0.36 0.00 0.00 55.97 55.65 2jkd s LYS 94 Cb 0.13 0.25 0.02 0.00 -1.51 0.00 0.00 37.83 36.72 2jkd s LYS 94 CO 0.77 -0.18 -0.11 1.03 -0.36 0.00 0.00 175.35 176.50 2jkd s ARG 95 N -1.43 1.64 -0.11 4.03 0.52 -1.26 -0.58 118.95 121.76 2jkd s ARG 95 Ca 0.01 -0.37 0.01 0.00 -0.52 0.00 0.00 55.73 54.85 2jkd s ARG 95 Cb -0.01 -1.42 -0.02 0.00 0.52 0.00 0.00 34.95 34.02 2jkd s ARG 95 CO -0.01 -0.03 -0.12 0.71 0.02 0.00 0.00 175.30 175.86 2jkd s TYR 96 N 0.87 2.81 0.07 -0.53 1.51 -0.06 -4.96 117.35 117.05 2jkd s TYR 96 Ca -0.11 -0.47 -0.31 0.00 -1.01 0.00 0.00 57.07 55.18 2jkd s TYR 96 Cb -0.15 -1.79 -0.06 0.00 -0.11 0.00 0.00 41.96 39.85 2jkd s TYR 96 CO 0.01 -0.07 1.20 0.34 -1.11 0.00 0.00 175.55 175.92 2jkd s ASP 97 N 0.03 7.07 -0.24 2.29 -1.08 -1.26 -0.83 116.67 122.65 2jkd s ASP 97 Ca -0.04 2.04 0.12 0.00 -0.52 0.00 0.00 52.55 54.15 2jkd s ASP 97 Cb -0.14 -2.58 0.48 0.00 -1.46 0.00 0.00 42.92 39.22 2jkd s ASP 97 CO 0.04 -0.47 1.39 0.18 0.52 0.00 0.00 175.17 176.84 2jkd n LEU 98 N 3.82 3.72 -0.08 -1.34 4.77 0.30 -4.72 117.00 123.47 2jkd n LEU 98 Ca 0.09 -3.55 -0.10 0.00 -0.03 0.00 0.00 56.01 52.41 2jkd n LEU 98 Cb 0.46 -0.58 -0.15 0.00 -2.33 0.00 0.00 43.42 40.82 2jkd n LEU 98 CO 0.56 1.09 -0.98 0.59 -1.33 0.00 0.00 177.39 177.31 2jkd n ASN 99 N -1.03 0.39 0.11 -1.43 3.02 -1.26 -4.55 115.26 110.52 2jkd n ASN 99 Ca 0.27 0.11 0.13 0.00 -0.03 0.00 0.00 54.58 55.06 2jkd n ASN 99 Cb 0.92 0.59 0.44 0.00 -0.61 0.00 0.00 39.78 41.12 2jkd n ASN 99 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jkd n GLY 100 N 1.73 -1.55 3.23 7.41 0.00 -1.26 -1.25 105.19 113.49 2jkd n GLY 100 Ca -0.29 0.01 -0.15 0.00 0.00 0.00 0.00 46.02 45.59 2jkd n GLY 100 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jkd s ARG 101 N -3.17 1.00 0.18 1.61 0.52 -1.26 -4.92 118.95 112.91 2jkd s ARG 101 Ca 0.08 -1.34 0.24 0.00 -0.52 0.00 0.00 55.73 54.20 2jkd s ARG 101 Cb 0.11 -0.66 0.42 0.00 0.52 0.00 0.00 34.95 35.35 2jkd s ARG 101 CO 0.52 0.10 1.43 0.66 0.02 0.00 0.00 175.30 178.03 2jkd h SER 102 N 3.11 0.00 -3.80 0.23 4.64 -1.90 -3.38 113.55 112.45 2jkd h SER 102 Ca -0.37 -0.11 -0.14 0.00 -0.47 0.00 0.00 61.79 60.69 2jkd h SER 102 Cb 1.19 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 63.03 2jkd h SER 102 CO 0.58 0.06 -0.34 0.00 -0.87 0.00 0.00 176.83 176.26 2jkd s TYR 104 N 0.28 1.17 -0.29 0.00 2.02 -0.33 -4.98 117.35 115.21 2jkd s TYR 104 Ca -0.01 -0.37 -0.11 0.00 -0.37 0.00 0.00 57.07 56.21 2jkd s TYR 104 Cb -0.03 -0.87 -0.04 0.00 -0.40 0.00 0.00 41.96 40.62 2jkd s TYR 104 CO -0.01 -0.20 0.20 -1.17 -1.57 0.00 0.00 175.55 172.80 2jkd s LEU 105 N 0.57 4.11 -0.18 -1.29 2.96 -1.26 -1.10 118.68 122.49 2jkd s LEU 105 Ca -0.10 -0.12 -0.09 0.00 -0.22 0.00 0.00 54.13 53.60 2jkd s LEU 105 Cb -0.13 -2.11 -0.05 0.00 0.50 0.00 0.00 46.19 44.40 2jkd s LEU 105 CO 0.02 -0.09 0.11 -0.69 -1.32 0.00 0.00 176.35 174.38 2jkd s VAL 106 N 1.74 5.24 0.01 1.68 1.01 0.13 -0.13 120.40 130.09 2jkd s VAL 106 Ca 0.07 0.12 -0.29 0.00 0.00 0.00 0.00 61.98 61.88 2jkd s VAL 106 Cb -0.16 -3.36 0.10 0.00 0.00 0.00 0.00 36.38 32.96 2jkd s VAL 106 CO 0.10 0.48 1.14 -0.83 0.00 0.00 0.00 175.10 176.00 2jkd s GLY 107 N 0.08 -0.35 0.27 4.51 0.00 -0.66 -1.04 107.32 110.14 2jkd s GLY 107 Ca 0.08 0.67 -0.30 0.00 0.00 0.00 0.00 44.72 45.17 2jkd s GLY 107 CO -0.00 0.16 1.35 -2.13 0.00 0.00 0.00 173.10 172.47 2jkd n ARG 108 N -0.41 2.01 -3.65 2.90 0.63 0.18 -1.92 116.66 116.40 2jkd n ARG 108 Ca -0.07 0.71 -0.03 0.00 -0.92 0.00 0.00 57.85 57.54 2jkd n ARG 108 Cb 0.61 -2.33 -0.06 0.00 0.45 0.00 0.00 32.46 31.14 2jkd n ARG 108 CO 0.00 0.00 0.00 -2.00 -2.51 0.00 0.00 177.63 173.12 2jkd s GLU 109 N -0.91 0.54 0.16 -0.14 2.12 -0.94 -4.68 118.70 114.85 2jkd s GLU 109 Ca 0.64 1.33 0.08 0.00 0.36 0.00 0.00 54.97 57.38 2jkd s GLU 109 Cb -0.63 0.67 -0.04 0.00 0.26 0.00 0.00 34.13 34.39 2jkd s GLU 109 CO 0.54 -0.20 -0.18 -0.51 -0.54 0.00 0.00 175.26 174.37 2jkd s LEU 110 N 2.67 2.43 -0.84 2.70 1.02 -1.26 -3.30 118.68 122.10 2jkd s LEU 110 Ca -0.06 -0.86 -0.25 0.00 0.02 0.00 0.00 54.13 52.99 2jkd s LEU 110 Cb -0.11 -0.80 -0.07 0.00 0.02 0.00 0.00 46.19 45.23 2jkd s LEU 110 CO -0.18 -0.04 2.06 -0.83 0.02 0.00 0.00 176.35 177.38 2jkd s GLY 111 N -2.64 -0.06 0.00 -3.19 0.00 -1.26 -5.06 107.32 95.11 2jkd s GLY 111 Ca 0.15 -1.23 0.00 0.00 0.00 0.00 0.00 44.72 43.64 2jkd s GLY 111 CO 0.06 3.67 0.00 -1.30 0.00 0.00 0.00 173.10 175.53 2jkd n THR 122 N 8.03 0.00 -3.40 0.90 -2.24 -1.26 -5.24 114.28 111.07 2jkd n THR 122 Ca 0.40 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.81 2jkd n THR 122 Cb 0.47 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.63 2jkd n THR 122 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2jkd s GLU 123 N 0.00 4.27 -0.21 -0.78 2.56 -1.26 -5.05 118.70 118.24 2jkd s GLU 123 Ca 0.00 0.33 -0.24 0.00 0.00 0.00 0.00 54.97 55.06 2jkd s GLU 123 Cb 0.00 -3.41 -0.01 0.00 2.00 0.00 0.00 34.13 32.71 2jkd s GLU 123 CO 0.00 0.23 0.81 -1.50 -0.56 0.00 0.00 175.26 174.24 2jkd s ILE 124 N 0.42 4.87 -0.21 -3.70 1.10 -1.26 -5.04 121.20 117.38 2jkd s ILE 124 Ca 0.23 1.56 -0.24 0.00 -0.51 0.00 0.00 60.65 61.68 2jkd s ILE 124 Cb -0.15 -4.11 -0.01 0.00 0.15 0.00 0.00 42.46 38.35 2jkd s ILE 124 CO 0.08 -0.01 0.81 -0.69 -2.11 0.00 0.00 174.94 173.02 2jkd s VAL 125 N 2.46 4.87 -0.03 4.00 1.01 -1.26 -4.90 120.40 126.56 2jkd s VAL 125 Ca 0.36 1.55 0.05 0.00 0.00 0.00 0.00 61.98 63.94 2jkd s VAL 125 Cb -0.16 -4.11 -0.07 0.00 0.00 0.00 0.00 36.38 32.04 2jkd s VAL 125 CO 0.10 -0.02 0.07 1.33 0.00 0.00 0.00 175.10 176.58 2jkd n VAL 126 N 5.01 0.16 -2.94 2.92 0.24 -1.26 -5.05 118.33 117.41 2jkd n VAL 126 Ca 0.04 -0.16 -0.34 0.00 -2.04 0.00 0.00 64.34 61.85 2jkd n VAL 126 Cb 0.48 -0.21 -0.07 0.00 -1.47 0.00 0.00 33.84 32.57 2jkd n VAL 126 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2jkd s ALA 127 N -2.25 3.19 0.10 2.33 0.00 -1.26 -4.97 121.76 118.90 2jkd s ALA 127 Ca -0.02 0.29 -0.05 0.00 0.00 0.00 0.00 51.96 52.17 2jkd s ALA 127 Cb 0.02 -3.01 -0.18 0.00 0.00 0.00 0.00 23.12 19.96 2jkd s ALA 127 CO 0.21 0.22 1.23 -0.44 0.00 0.00 0.00 175.76 176.97 2jkd h ASP 128 N 2.35 0.52 -3.61 0.00 3.32 -0.90 -3.42 116.42 114.68 2jkd h ASP 128 Ca -0.48 -0.47 -0.63 0.00 0.02 0.00 0.00 57.03 55.47 2jkd h ASP 128 Cb 1.18 -0.16 -0.39 0.00 0.22 0.00 0.00 39.33 40.18 2jkd h ASP 128 CO 0.63 1.31 -0.76 -0.63 -1.72 0.00 0.00 179.24 178.07 2jkd s ILE 129 N -3.01 1.73 -0.09 0.35 1.01 0.36 -4.94 121.20 116.60 2jkd s ILE 129 Ca -0.05 -1.63 -0.13 0.00 0.00 0.00 0.00 60.65 58.83 2jkd s ILE 129 Cb 0.08 -2.10 -0.05 0.00 0.01 0.00 0.00 42.46 40.40 2jkd s ILE 129 CO 0.88 -0.33 0.32 -0.83 0.00 0.00 0.00 174.94 174.98 2jkd s GLY 130 N 1.25 2.31 -0.10 6.18 0.00 -1.25 -1.65 107.32 114.06 2jkd s GLY 130 Ca 0.01 -0.38 0.03 0.00 0.00 0.00 0.00 44.72 44.38 2jkd s GLY 130 CO -0.10 0.22 -0.20 -0.42 0.00 0.00 0.00 173.10 172.60 2jkd s ILE 131 N -0.31 1.79 -0.18 0.90 1.09 -0.81 -4.74 121.20 118.94 2jkd s ILE 131 Ca 0.19 -0.85 -0.04 0.00 -1.10 0.00 0.00 60.65 58.85 2jkd s ILE 131 Cb -0.14 -1.57 -0.16 0.00 -1.06 0.00 0.00 42.46 39.53 2jkd s ILE 131 CO 0.08 0.50 2.50 -2.65 -0.10 0.00 0.00 174.94 175.26 2jkd n PRO 132 N 3.70 1.50 -3.90 2.79 -0.02 -1.21 -2.21 135.00 135.65 2jkd n PRO 132 Ca -0.20 -0.82 -0.34 0.00 -2.02 0.00 0.00 63.50 60.12 2jkd n PRO 132 Cb 0.52 -1.95 -0.13 0.00 -0.02 0.00 0.00 33.50 31.92 2jkd n PRO 132 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2jkd s GLU 133 N 1.95 2.11 0.31 -0.52 2.02 -1.26 -4.98 118.70 118.33 2jkd s GLU 133 Ca 0.44 -1.56 0.08 0.00 0.02 0.00 0.00 54.97 53.95 2jkd s GLU 133 Cb 0.19 -3.28 0.91 0.00 0.10 0.00 0.00 34.13 32.05 2jkd s GLU 133 CO -0.01 -0.81 1.49 -1.91 0.02 0.00 0.00 175.26 174.04 2jkd n GLU 134 N 4.53 -0.07 0.04 1.61 2.13 -1.26 -0.12 120.64 127.50 2jkd n GLU 134 Ca -0.07 1.39 0.11 0.00 0.66 0.00 0.00 57.16 59.24 2jkd n GLU 134 Cb 0.42 -2.29 0.44 0.00 0.27 0.00 0.00 31.44 30.27 2jkd n GLU 134 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 2jkd n THR 135 N -5.32 0.68 -2.53 6.31 -2.24 -1.26 -4.84 114.28 105.07 2jkd n THR 135 Ca 0.27 0.12 -0.30 0.00 -2.27 0.00 0.00 64.05 61.87 2jkd n THR 135 Cb 0.90 -0.87 -0.02 0.00 -2.10 0.00 0.00 70.33 68.23 2jkd n THR 135 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2jkd s SER 136 N -3.50 6.45 0.39 3.42 1.04 0.83 -4.54 113.70 117.79 2jkd s SER 136 Ca 0.08 1.25 -0.05 0.00 0.48 0.00 0.00 55.95 57.71 2jkd s SER 136 Cb 0.12 -2.38 -0.05 0.00 0.10 0.00 0.00 66.02 63.81 2jkd s SER 136 CO 0.40 -0.56 0.68 -0.44 0.98 0.00 0.00 173.24 174.29 2jkd s SER 137 N -3.49 6.38 0.33 7.02 0.01 -1.26 -4.51 113.70 118.17 2jkd s SER 137 Ca 0.53 0.83 0.03 0.00 1.31 0.00 0.00 55.95 58.66 2jkd s SER 137 Cb -0.10 -2.20 0.63 0.00 0.21 0.00 0.00 66.02 64.56 2jkd s SER 137 CO 0.38 -0.38 1.92 0.11 0.41 0.00 0.00 173.24 175.67 2jkd h LYS 138 N 0.95 0.87 -3.01 12.44 1.57 -1.91 0.51 116.57 127.98 2jkd h LYS 138 Ca -0.48 -0.05 -0.61 0.00 -1.87 0.00 0.00 60.65 57.64 2jkd h LYS 138 Cb 1.20 -0.20 -0.40 0.00 0.08 0.00 0.00 32.23 32.91 2jkd h LYS 138 CO 0.63 0.58 -0.73 -0.65 -0.57 0.00 0.00 179.45 178.71 2jkd s GLN 139 N -5.80 1.37 -0.17 3.15 -0.21 -1.26 -4.08 119.66 112.65 2jkd s GLN 139 Ca -0.11 -2.09 -0.15 0.00 0.02 0.00 0.00 55.36 53.03 2jkd s GLN 139 Cb 0.20 -2.43 -0.10 0.00 1.00 0.00 0.00 33.01 31.68 2jkd s GLN 139 CO 0.79 -1.16 -0.02 1.58 -2.12 0.00 0.00 175.29 174.36 2jkd n HIS 140 N 3.46 0.94 -3.76 0.91 -0.00 -0.20 -4.66 115.22 111.89 2jkd n HIS 140 Ca 0.09 0.41 -0.10 0.00 0.46 0.00 0.00 57.72 58.58 2jkd n HIS 140 Cb 0.35 -0.92 -0.05 0.00 -0.12 0.00 0.00 29.99 29.24 2jkd n HIS 140 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2jkd s VAL 142 N -3.86 2.08 -0.34 0.00 -7.23 -0.65 -0.69 120.40 109.71 2jkd s VAL 142 Ca 0.07 -1.50 -0.08 0.00 -1.81 0.00 0.00 61.98 58.66 2jkd s VAL 142 Cb 0.02 -1.81 0.03 0.00 0.56 0.00 0.00 36.38 35.18 2jkd s VAL 142 CO -0.08 0.21 0.13 -0.63 -0.31 0.00 0.00 175.10 174.42 2jkd s ILE 143 N -0.92 4.04 -0.20 -0.62 1.01 -0.25 -1.81 121.20 122.45 2jkd s ILE 143 Ca 0.11 -0.96 -0.01 0.00 0.00 0.00 0.00 60.65 59.79 2jkd s ILE 143 Cb -0.10 -3.24 0.01 0.00 0.01 0.00 0.00 42.46 39.14 2jkd s ILE 143 CO 0.04 -0.14 -0.12 -1.58 0.00 0.00 0.00 174.94 173.13 2jkd s GLN 144 N 1.47 3.18 -0.03 2.79 2.00 0.74 -1.19 119.66 128.62 2jkd s GLN 144 Ca 0.00 -0.73 -0.16 0.00 -2.00 0.00 0.00 55.36 52.47 2jkd s GLN 144 Cb -0.19 -2.77 -0.05 0.00 0.80 0.00 0.00 33.01 30.79 2jkd s GLN 144 CO 0.04 -0.19 0.44 -0.06 -0.50 0.00 0.00 175.29 175.02 2jkd s PHE 145 N 1.34 3.67 0.02 1.67 0.40 0.11 -0.83 117.98 124.38 2jkd s PHE 145 Ca 0.05 0.99 0.01 0.00 -0.60 0.00 0.00 56.93 57.37 2jkd s PHE 145 Cb -0.14 -2.38 -0.02 0.00 0.51 0.00 0.00 43.02 40.99 2jkd s PHE 145 CO -0.08 0.50 -0.04 1.03 0.70 0.00 0.00 175.22 177.33 2jkd s ARG 146 N -0.59 0.34 -0.96 0.44 0.52 0.40 -2.30 118.95 116.80 2jkd s ARG 146 Ca 0.25 -0.51 -0.16 0.00 -0.52 0.00 0.00 55.73 54.79 2jkd s ARG 146 Cb -0.16 -0.09 0.17 0.00 0.52 0.00 0.00 34.95 35.39 2jkd s ARG 146 CO 0.13 0.01 1.08 1.21 0.02 0.00 0.00 175.30 177.75 2jkd s ASN 147 N -1.11 6.78 -0.71 0.23 3.84 0.74 -0.91 114.94 123.81 2jkd s ASN 147 Ca -0.10 -2.47 -0.22 0.00 0.21 0.00 0.00 52.86 50.28 2jkd s ASN 147 Cb -0.07 -2.34 0.07 0.00 -0.55 0.00 0.00 41.25 38.36 2jkd s ASN 147 CO -0.00 -0.83 1.02 -0.69 -2.79 0.00 0.00 177.10 173.81 2jkd s VAL 148 N 1.58 4.31 -1.71 -5.21 1.01 -0.57 -4.37 120.40 115.43 2jkd s VAL 148 Ca 0.30 -0.46 -0.18 0.00 0.00 0.00 0.00 61.98 61.65 2jkd s VAL 148 Cb -0.06 -4.73 0.16 0.00 0.00 0.00 0.00 36.38 31.75 2jkd s VAL 148 CO -0.08 -1.51 0.74 0.54 0.00 0.00 0.00 175.10 174.79 2jkd n ARG 149 N 7.74 -2.88 -0.11 2.72 1.74 -1.26 -1.21 116.66 123.40 2jkd n ARG 149 Ca 0.01 0.34 0.00 0.00 -0.77 0.00 0.00 57.85 57.43 2jkd n ARG 149 Cb 0.46 -5.01 0.00 0.00 -1.02 0.00 0.00 32.46 26.89 2jkd n ARG 149 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2jkd n GLY 150 N -1.41 0.62 3.07 -0.13 0.00 -1.26 -5.06 105.19 101.02 2jkd n GLY 150 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 2jkd n GLY 150 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jkd s ILE 151 N -2.18 1.89 -0.02 -0.61 -1.09 -0.35 -5.09 121.20 113.75 2jkd s ILE 151 Ca 0.00 -0.95 -0.30 0.00 -2.23 0.00 0.00 60.65 57.17 2jkd s ILE 151 Cb 0.00 -1.79 -0.06 0.00 -1.58 0.00 0.00 42.46 39.03 2jkd s ILE 151 CO 0.00 0.40 1.60 -0.22 -1.23 0.00 0.00 174.94 175.50 2jkd s LEU 152 N 1.34 4.33 0.06 2.97 2.96 -1.26 -1.52 118.68 127.55 2jkd s LEU 152 Ca 0.03 2.25 0.05 0.00 -0.22 0.00 0.00 54.13 56.24 2jkd s LEU 152 Cb -0.14 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 42.98 2jkd s LEU 152 CO -0.11 -0.88 -0.13 -0.54 -1.32 0.00 0.00 176.35 173.37 2jkd s LYS 153 N 3.47 0.79 -0.06 1.98 1.02 -0.08 -4.97 119.74 121.90 2jkd s LYS 153 Ca 0.71 -0.86 0.04 0.00 0.02 0.00 0.00 55.97 55.88 2jkd s LYS 153 Cb -0.34 -0.77 -0.02 0.00 -0.52 0.00 0.00 37.83 36.18 2jkd s LYS 153 CO 0.29 0.17 -0.18 0.00 -0.92 0.00 0.00 175.35 174.72 2jkd s TYR 155 N -0.43 1.04 -0.05 0.00 1.51 -0.01 0.45 117.35 119.86 2jkd s TYR 155 Ca 0.05 -0.49 0.03 0.00 -1.01 0.00 0.00 57.07 55.65 2jkd s TYR 155 Cb -0.12 -0.59 -0.03 0.00 -0.11 0.00 0.00 41.96 41.11 2jkd s TYR 155 CO 0.02 0.01 -0.12 0.54 -1.11 0.00 0.00 175.55 174.88 2jkd s VAL 156 N -1.40 3.22 -0.03 0.71 0.11 0.10 -0.19 120.40 122.91 2jkd s VAL 156 Ca -0.04 -0.69 0.01 0.00 -2.93 0.00 0.00 61.98 58.34 2jkd s VAL 156 Cb -0.09 -2.28 0.02 0.00 -1.53 0.00 0.00 36.38 32.49 2jkd s VAL 156 CO 0.02 0.58 -0.04 -0.32 -3.33 0.00 0.00 175.10 172.00 2jkd s MET 157 N -0.80 0.66 0.21 1.54 0.00 -0.75 -1.09 119.30 119.08 2jkd s MET 157 Ca 0.12 -0.11 -0.30 0.00 0.00 0.00 0.00 55.69 55.41 2jkd s MET 157 Cb -0.11 -0.69 -0.08 0.00 0.00 0.00 0.00 34.83 33.95 2jkd s MET 157 CO 0.01 -0.03 1.05 0.34 0.00 0.00 0.00 175.02 176.38 2jkd s ASP 158 N 0.66 7.38 -0.73 1.11 2.15 -1.26 -1.63 116.67 124.35 2jkd s ASP 158 Ca -0.08 2.08 -0.02 0.00 0.43 0.00 0.00 52.55 54.95 2jkd s ASP 158 Cb -0.12 -2.61 0.40 0.00 -0.30 0.00 0.00 42.92 40.30 2jkd s ASP 158 CO -0.00 -0.09 2.04 0.18 -0.17 0.00 0.00 175.17 177.13 2jkd n LEU 159 N 1.89 7.62 -3.81 -1.34 4.77 -0.16 -2.89 117.00 123.07 2jkd n LEU 159 Ca 0.01 -4.48 -0.24 0.00 -0.03 0.00 0.00 56.01 51.27 2jkd n LEU 159 Cb 0.46 -1.02 0.01 0.00 -2.33 0.00 0.00 43.42 40.55 2jkd n LEU 159 CO 0.53 1.58 -0.12 0.47 -1.33 0.00 0.00 177.39 178.52 2jkd n ASP 160 N -0.74 -1.10 -4.32 -1.43 8.00 -1.26 -4.92 116.55 110.78 2jkd n ASP 160 Ca 0.59 -0.89 -0.29 0.00 0.71 0.00 0.00 54.79 54.91 2jkd n ASP 160 Cb 0.49 -3.66 0.20 0.00 -0.02 0.00 0.00 41.12 38.12 2jkd n ASP 160 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2jkd s SER 161 N -4.29 2.15 -0.02 -2.24 1.04 -1.26 -5.01 113.70 104.07 2jkd s SER 161 Ca 0.06 0.84 -0.21 0.00 0.48 0.00 0.00 55.95 57.11 2jkd s SER 161 Cb -0.03 -1.27 -0.13 0.00 0.10 0.00 0.00 66.02 64.69 2jkd s SER 161 CO 0.84 -3.39 0.92 0.28 0.98 0.00 0.00 173.24 172.87 2jkd h SER 162 N -2.07 -0.49 0.64 7.02 0.02 -1.93 -3.35 113.55 113.37 2jkd h SER 162 Ca -0.49 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.38 2jkd h SER 162 Cb 1.31 0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.98 2jkd h SER 162 CO 0.48 -0.07 -0.45 0.59 -1.14 0.00 0.00 176.83 176.24 2jkd n ASN 163 N -5.18 0.46 0.00 3.07 4.13 -1.26 -5.06 115.26 111.42 2jkd n ASN 163 Ca -0.09 -0.08 0.00 0.00 1.68 0.00 0.00 54.58 56.09 2jkd n ASN 163 Cb 0.28 0.12 0.00 0.00 -1.54 0.00 0.00 39.78 38.64 2jkd n ASN 163 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2jkd n GLY 164 N 1.47 -0.39 3.22 7.41 0.00 -1.26 -2.39 105.19 113.26 2jkd n GLY 164 Ca 0.05 -1.75 -0.32 0.00 0.00 0.00 0.00 46.02 44.01 2jkd n GLY 164 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jkd s THR 165 N -1.86 2.03 -0.12 2.61 2.01 -1.26 -3.06 115.64 115.99 2jkd s THR 165 Ca 0.00 -1.01 -0.04 0.00 0.31 0.00 0.00 61.69 60.94 2jkd s THR 165 Cb 0.00 -1.75 -0.04 0.00 0.01 0.00 0.00 72.50 70.73 2jkd s THR 165 CO 0.00 0.56 0.05 0.00 -0.69 0.00 0.00 174.62 174.54 2jkd s LEU 167 N -0.65 3.44 -1.44 0.00 2.96 -0.21 -1.99 118.68 120.79 2jkd s LEU 167 Ca 0.11 -1.23 -0.04 0.00 -0.22 0.00 0.00 54.13 52.76 2jkd s LEU 167 Cb -0.12 -1.61 0.03 0.00 0.50 0.00 0.00 46.19 44.99 2jkd s LEU 167 CO 0.02 -0.19 0.55 0.59 -1.32 0.00 0.00 176.35 176.01 2jkd n ASN 168 N 4.53 -1.18 0.00 3.68 3.02 -0.38 -1.46 115.26 123.48 2jkd n ASN 168 Ca -0.15 -0.96 0.00 0.00 -0.03 0.00 0.00 54.58 53.44 2jkd n ASN 168 Cb 0.44 -3.23 0.00 0.00 -0.61 0.00 0.00 39.78 36.38 2jkd n ASN 168 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2jkd n ASN 169 N -2.94 0.00 -4.65 6.41 3.02 -1.26 -5.01 115.26 110.83 2jkd n ASN 169 Ca -0.23 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 53.93 2jkd n ASN 169 Cb 0.65 -0.38 -0.08 0.00 -0.61 0.00 0.00 39.78 39.36 2jkd n ASN 169 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2jkd s VAL 170 N -2.85 5.16 -0.22 2.41 1.01 -0.53 -5.01 120.40 120.37 2jkd s VAL 170 Ca 0.00 0.75 -0.29 0.00 0.00 0.00 0.00 61.98 62.44 2jkd s VAL 170 Cb 0.00 -3.76 -0.02 0.00 0.00 0.00 0.00 36.38 32.60 2jkd s VAL 170 CO 0.00 0.20 1.53 0.54 0.00 0.00 0.00 175.10 177.37 2jkd s VAL 171 N 1.64 3.82 0.36 2.92 0.11 -1.26 -1.04 120.40 126.95 2jkd s VAL 171 Ca 0.19 0.94 -0.25 0.00 -2.93 0.00 0.00 61.98 59.94 2jkd s VAL 171 Cb -0.15 -3.80 -0.10 0.00 -1.53 0.00 0.00 36.38 30.80 2jkd s VAL 171 CO 0.09 -0.29 0.98 0.27 -3.33 0.00 0.00 175.10 172.82 2jkd s ILE 172 N 4.79 4.05 0.29 7.04 -4.36 -0.36 -4.98 121.20 127.67 2jkd s ILE 172 Ca 0.67 1.60 -0.29 0.00 -0.26 0.00 0.00 60.65 62.37 2jkd s ILE 172 Cb -0.24 -3.84 -0.10 0.00 1.25 0.00 0.00 42.46 39.53 2jkd s ILE 172 CO 0.27 0.04 1.34 -2.16 0.24 0.00 0.00 174.94 174.67 2jkd s PRO 173 N -2.34 4.34 0.76 0.37 0.04 -1.26 -4.68 135.00 132.23 2jkd s PRO 173 Ca 0.54 2.21 -0.14 0.00 0.04 0.00 0.00 61.00 63.66 2jkd s PRO 173 Cb -0.19 -3.10 0.06 0.00 0.04 0.00 0.00 34.50 31.31 2jkd s PRO 173 CO 0.24 -0.25 1.18 0.20 0.04 0.00 0.00 177.00 178.42 2jkd s GLY 174 N -0.18 2.19 -1.49 0.56 0.00 -1.26 -3.69 107.32 103.45 2jkd s GLY 174 Ca 0.52 0.78 -0.12 0.00 0.00 0.00 0.00 44.72 45.90 2jkd s GLY 174 CO 0.49 1.18 0.83 0.00 0.00 0.00 0.00 173.10 175.60 2jkd n ALA 175 N -3.01 -1.20 -3.38 3.20 0.00 -1.14 -4.98 120.51 110.00 2jkd n ALA 175 Ca 0.13 0.17 -0.14 0.00 0.00 0.00 0.00 53.44 53.60 2jkd n ALA 175 Cb 0.51 -4.02 -0.15 0.00 0.00 0.00 0.00 19.45 15.79 2jkd n ALA 175 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2jkd s ARG 176 N -6.41 -0.01 -0.03 0.00 3.52 -1.24 -5.04 118.95 109.74 2jkd s ARG 176 Ca 0.58 0.13 -0.30 0.00 -0.13 0.00 0.00 55.73 56.01 2jkd s ARG 176 Cb -0.29 -0.13 -0.03 0.00 -1.56 0.00 0.00 34.95 32.93 2jkd s ARG 176 CO 0.71 -0.10 1.07 0.71 -0.81 0.00 0.00 175.30 176.89 2jkd s TYR 177 N 0.62 3.49 -0.17 5.12 2.02 -1.26 -4.35 117.35 122.82 2jkd s TYR 177 Ca -0.05 1.51 0.01 0.00 -0.37 0.00 0.00 57.07 58.17 2jkd s TYR 177 Cb -0.07 -3.25 0.01 0.00 -0.40 0.00 0.00 41.96 38.25 2jkd s TYR 177 CO -0.02 -0.55 -0.19 0.42 -1.57 0.00 0.00 175.55 173.64 2jkd s ILE 178 N 1.51 2.20 0.09 2.71 -1.09 -0.25 -4.93 121.20 121.44 2jkd s ILE 178 Ca 0.53 -0.91 -0.31 0.00 -2.23 0.00 0.00 60.65 57.73 2jkd s ILE 178 Cb -0.23 -1.92 -0.08 0.00 -1.58 0.00 0.00 42.46 38.65 2jkd s ILE 178 CO 0.24 0.53 1.61 -0.70 -1.23 0.00 0.00 174.94 175.39 2jkd s GLU 179 N 1.12 4.21 0.63 2.79 2.12 -1.26 -0.72 118.70 127.59 2jkd s GLU 179 Ca 0.01 2.30 -0.10 0.00 0.36 0.00 0.00 54.97 57.54 2jkd s GLU 179 Cb -0.14 -3.49 -0.01 0.00 0.26 0.00 0.00 34.13 30.74 2jkd s GLU 179 CO -0.08 -0.68 1.02 -0.51 -0.54 0.00 0.00 175.26 174.46 2jkd s LEU 180 N 2.25 3.15 0.01 2.70 1.43 0.17 -4.91 118.68 123.49 2jkd s LEU 180 Ca 0.72 1.19 -0.01 0.00 -1.03 0.00 0.00 54.13 55.00 2jkd s LEU 180 Cb -0.40 -4.12 -0.01 0.00 0.03 0.00 0.00 46.19 41.69 2jkd s LEU 180 CO 0.32 -1.03 0.01 -0.60 0.23 0.00 0.00 176.35 175.27 2jkd s ARG 181 N -5.18 0.27 0.10 1.70 3.52 -1.26 -4.70 118.95 113.39 2jkd s ARG 181 Ca 0.55 -0.43 -0.33 0.00 -0.13 0.00 0.00 55.73 55.39 2jkd s ARG 181 Cb -0.11 0.10 -0.12 0.00 -1.56 0.00 0.00 34.95 33.26 2jkd s ARG 181 CO 0.51 -0.05 1.75 0.45 -0.81 0.00 0.00 175.30 177.15 2jkd n SER 182 N 1.92 3.57 0.00 -2.12 2.88 -1.26 -1.44 113.62 117.16 2jkd n SER 182 Ca -0.21 1.02 0.00 0.00 -1.33 0.00 0.00 58.87 58.35 2jkd n SER 182 Cb 0.56 -1.47 0.00 0.00 -0.75 0.00 0.00 64.21 62.55 2jkd n SER 182 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2jkd n GLY 183 N 3.95 1.20 3.75 0.46 0.00 0.32 -4.95 105.19 109.92 2jkd n GLY 183 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 2jkd n GLY 183 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2jkd n ASP 184 N 0.00 3.79 -4.42 1.61 8.00 -0.52 -4.80 116.55 120.21 2jkd n ASP 184 Ca 0.00 1.16 -0.37 0.00 0.71 0.00 0.00 54.79 56.29 2jkd n ASP 184 Cb 0.00 -1.59 -0.13 0.00 -0.02 0.00 0.00 41.12 39.38 2jkd n ASP 184 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2jkd s VAL 185 N -0.18 4.20 -0.16 2.53 1.01 -1.26 -1.50 120.40 125.04 2jkd s VAL 185 Ca 0.63 -0.28 -0.07 0.00 0.00 0.00 0.00 61.98 62.26 2jkd s VAL 185 Cb -0.50 -2.99 -0.04 0.00 0.00 0.00 0.00 36.38 32.85 2jkd s VAL 185 CO 0.51 0.30 0.07 -0.76 0.00 0.00 0.00 175.10 175.22 2jkd s LEU 186 N 1.59 3.90 0.08 3.92 1.43 0.14 -1.25 118.68 128.49 2jkd s LEU 186 Ca 0.06 0.15 0.08 0.00 -1.03 0.00 0.00 54.13 53.40 2jkd s LEU 186 Cb -0.15 -1.97 -0.03 0.00 0.03 0.00 0.00 46.19 44.06 2jkd s LEU 186 CO 0.03 0.23 -0.23 0.42 0.23 0.00 0.00 176.35 177.03 2jkd s THR 187 N 0.04 1.84 -0.47 5.49 -4.23 -0.84 -0.32 115.64 117.15 2jkd s THR 187 Ca 0.06 -1.44 0.08 0.00 -1.18 0.00 0.00 61.69 59.21 2jkd s THR 187 Cb -0.12 -1.63 0.52 0.00 1.34 0.00 0.00 72.50 72.61 2jkd s THR 187 CO 0.01 0.11 1.37 0.18 -0.54 0.00 0.00 174.62 175.75 2jkd n LEU 188 N 1.41 4.36 -3.51 4.79 4.77 -1.26 -1.35 117.00 126.22 2jkd n LEU 188 Ca -0.18 -2.23 -0.17 0.00 -0.03 0.00 0.00 56.01 53.39 2jkd n LEU 188 Cb 0.53 -0.64 -0.05 0.00 -2.33 0.00 0.00 43.42 40.93 2jkd n LEU 188 CO 0.23 0.56 0.43 -0.55 -1.33 0.00 0.00 177.39 176.73 2jkd s SER 189 N -0.51 -0.64 0.07 -1.43 0.15 -1.17 -4.56 113.70 105.61 2jkd s SER 189 Ca 0.36 0.61 -0.14 0.00 0.70 0.00 0.00 55.95 57.48 2jkd s SER 189 Cb 0.28 0.55 -0.24 0.00 -1.71 0.00 0.00 66.02 64.90 2jkd s SER 189 CO 0.10 -0.66 1.18 -0.08 1.20 0.00 0.00 173.24 174.98 2jkd h GLU 190 N 2.85 0.69 -6.27 5.44 4.81 -1.67 -3.41 114.58 117.01 2jkd h GLU 190 Ca -0.28 -0.76 -0.59 0.00 -0.13 0.00 0.00 59.36 57.60 2jkd h GLU 190 Cb 1.17 0.22 -0.10 0.00 0.63 0.00 0.00 28.75 30.67 2jkd h GLU 190 CO 0.39 1.33 0.73 -0.06 -0.73 0.00 0.00 179.01 180.67 2jkd s PHE 191 N -3.27 2.80 0.63 0.92 0.08 -1.26 -4.88 117.98 112.99 2jkd s PHE 191 Ca -0.10 0.34 0.28 0.00 0.12 0.00 0.00 56.93 57.57 2jkd s PHE 191 Cb 0.07 -4.21 1.47 0.00 -0.57 0.00 0.00 43.02 39.78 2jkd s PHE 191 CO 0.92 -1.31 1.86 1.05 -0.10 0.00 0.00 175.22 177.64 2jkd h GLU 192 N 9.28 0.00 -0.75 0.44 4.11 -1.96 -0.43 114.58 125.27 2jkd h GLU 192 Ca -0.25 0.00 0.14 0.00 0.07 0.00 0.00 59.36 59.32 2jkd h GLU 192 Cb 1.07 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.23 2jkd h GLU 192 CO 1.10 0.00 0.31 1.49 0.07 0.00 0.00 179.01 181.98 2jkd h GLU 193 N 0.00 0.45 0.00 1.06 4.57 -1.96 -1.75 114.58 116.95 2jkd h GLU 193 Ca 0.11 -0.03 -0.08 0.00 -1.18 0.00 0.00 59.36 58.18 2jkd h GLU 193 Cb 1.02 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 29.49 2jkd h GLU 193 CO -0.00 0.30 -0.40 -0.44 -1.18 0.00 0.00 179.01 177.28 2jkd h ASP 194 N 0.46 0.00 -2.63 1.04 3.32 -1.47 -3.45 116.42 113.69 2jkd h ASP 194 Ca 0.41 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.88 2jkd h ASP 194 Cb 0.60 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.12 2jkd h ASP 194 CO -0.39 0.40 1.28 0.20 -1.72 0.00 0.00 179.24 179.02 2jkd s ASN 195 N -6.40 5.89 -0.00 6.45 0.01 -0.66 -4.83 114.94 115.40 2jkd s ASN 195 Ca 0.02 1.37 0.08 0.00 -0.71 0.00 0.00 52.86 53.62 2jkd s ASN 195 Cb 0.09 -2.53 -0.10 0.00 0.41 0.00 0.00 41.25 39.13 2jkd s ASN 195 CO 0.70 -1.70 0.29 0.47 -1.51 0.00 0.00 177.10 175.35 2jkd n ASP 196 N 10.26 1.32 -4.08 -1.22 8.00 -1.26 -4.92 116.55 124.64 2jkd n ASP 196 Ca 0.23 -0.45 -0.16 0.00 0.71 0.00 0.00 54.79 55.12 2jkd n ASP 196 Cb 0.46 1.13 -0.12 0.00 -0.02 0.00 0.00 41.12 42.57 2jkd n ASP 196 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2jkd s TYR 197 N -2.05 0.85 -0.09 1.24 2.02 -1.26 0.13 117.35 118.20 2jkd s TYR 197 Ca 0.01 -0.40 0.04 0.00 -0.37 0.00 0.00 57.07 56.34 2jkd s TYR 197 Cb 0.06 -0.50 0.00 0.00 -0.40 0.00 0.00 41.96 41.12 2jkd s TYR 197 CO 0.34 -0.02 -0.21 -1.21 -1.57 0.00 0.00 175.55 172.87 2jkd s GLU 198 N -1.31 2.68 -0.39 -0.62 2.02 -0.41 -4.65 118.70 116.02 2jkd s GLU 198 Ca -0.04 -0.76 -0.09 0.00 0.02 0.00 0.00 54.97 54.10 2jkd s GLU 198 Cb -0.08 -2.06 0.05 0.00 0.10 0.00 0.00 34.13 32.14 2jkd s GLU 198 CO 0.01 0.15 0.20 -0.51 0.02 0.00 0.00 175.26 175.13 2jkd s LEU 199 N 0.39 4.81 -0.33 1.80 1.02 0.56 -1.16 118.68 125.78 2jkd s LEU 199 Ca -0.17 -1.27 -0.12 0.00 0.02 0.00 0.00 54.13 52.58 2jkd s LEU 199 Cb -0.17 -1.96 -0.02 0.00 0.02 0.00 0.00 46.19 44.06 2jkd s LEU 199 CO 0.07 -0.44 0.22 -0.63 0.02 0.00 0.00 176.35 175.60 2jkd s ILE 200 N 1.45 5.19 -0.15 -0.59 1.01 0.13 0.26 121.20 128.49 2jkd s ILE 200 Ca 0.01 -0.21 -0.29 0.00 0.00 0.00 0.00 60.65 60.16 2jkd s ILE 200 Cb -0.21 -3.65 -0.01 0.00 0.01 0.00 0.00 42.46 38.61 2jkd s ILE 200 CO 0.03 0.02 1.09 0.12 0.00 0.00 0.00 174.94 176.21 2jkd s PHE 201 N 1.71 3.29 0.03 3.97 2.19 -0.56 -0.46 117.98 128.15 2jkd s PHE 201 Ca 0.06 1.39 0.06 0.00 0.33 0.00 0.00 56.93 58.77 2jkd s PHE 201 Cb -0.17 -3.31 -0.02 0.00 -1.31 0.00 0.00 43.02 38.21 2jkd s PHE 201 CO 0.10 -0.74 -0.17 -1.64 1.83 0.00 0.00 175.22 174.59 2jkd s MET 202 N 2.70 1.20 -0.06 10.12 -1.94 0.06 -0.52 119.30 130.86 2jkd s MET 202 Ca 0.49 -0.81 -0.15 0.00 -1.71 0.00 0.00 55.69 53.50 2jkd s MET 202 Cb -0.19 -1.26 -0.05 0.00 2.01 0.00 0.00 34.83 35.35 2jkd s MET 202 CO 0.14 0.32 0.40 -0.80 -0.01 0.00 0.00 175.02 175.08 2jkd s ASN 203 N -1.04 6.71 0.01 3.03 0.02 -1.26 -1.76 114.94 120.65 2jkd s ASN 203 Ca 0.05 0.84 0.03 0.00 -1.02 0.00 0.00 52.86 52.76 2jkd s ASN 203 Cb -0.08 -2.25 -0.01 0.00 0.02 0.00 0.00 41.25 38.93 2jkd s ASN 203 CO 0.01 0.20 -0.08 -0.69 0.02 0.00 0.00 177.10 176.55 2jkd s VAL 204 N -0.33 0.65 -0.68 1.60 1.01 0.29 -4.96 120.40 117.98 2jkd s VAL 204 Ca 0.23 -0.56 0.04 0.00 0.00 0.00 0.00 61.98 61.69 2jkd s VAL 204 Cb -0.16 -0.59 0.16 0.00 0.00 0.00 0.00 36.38 35.80 2jkd s VAL 204 CO 0.11 0.04 0.46 -1.00 0.00 0.00 0.00 175.10 174.70 2jkd s HIS 205 N -0.50 3.51 0.24 5.22 3.76 -1.26 -0.30 115.29 125.95 2jkd s HIS 205 Ca 0.00 -3.26 0.04 0.00 -0.15 0.00 0.00 55.06 51.69 2jkd s HIS 205 Cb -0.05 -2.80 -0.05 0.00 1.11 0.00 0.00 32.58 30.79 2jkd s HIS 205 CO 0.00 -0.62 -0.02 -1.01 -0.85 0.00 0.00 174.74 172.24 2jkd s HIS 206 N -1.14 1.65 0.00 1.40 4.02 -1.26 -5.08 115.29 114.87 2jkd s HIS 206 Ca 0.23 -0.85 0.00 0.00 1.02 0.00 0.00 55.06 55.46 2jkd s HIS 206 Cb -0.10 -0.94 0.00 0.00 -1.02 0.00 0.00 32.58 30.51 2jkd s HIS 206 CO -0.12 0.05 0.00 1.58 1.02 0.00 0.00 174.74 177.27