#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jkd s LEU 50 N 0.00 4.54 -0.82 0.00 2.96 -1.09 -4.98 118.68 119.29 2jkd s LEU 50 Ca 0.00 2.19 -0.22 0.00 -0.22 0.00 0.00 54.13 55.89 2jkd s LEU 50 Cb 0.00 -3.62 0.08 0.00 0.50 0.00 0.00 46.19 43.15 2jkd s LEU 50 CO 0.00 -0.14 1.15 -0.75 -1.32 0.00 0.00 176.35 175.29 2jkd s LYS 51 N -1.13 3.37 0.03 1.98 2.47 -1.26 -4.99 119.74 120.22 2jkd s LYS 51 Ca 0.45 -1.12 -0.26 0.00 -1.56 0.00 0.00 55.97 53.49 2jkd s LYS 51 Cb -0.31 -4.66 -0.05 0.00 -1.46 0.00 0.00 37.83 31.35 2jkd s LYS 51 CO 0.39 -1.92 0.79 -1.58 0.16 0.00 0.00 175.35 173.19 2jkd s HIS 52 N 3.99 3.72 -0.01 4.03 5.65 -1.26 -5.06 115.29 126.34 2jkd s HIS 52 Ca 0.32 1.50 0.01 0.00 0.25 0.00 0.00 55.06 57.13 2jkd s HIS 52 Cb -0.09 -2.86 0.01 0.00 -1.18 0.00 0.00 32.58 28.46 2jkd s HIS 52 CO 0.01 0.22 -0.03 0.08 -0.65 0.00 0.00 174.74 174.37 2jkd s VAL 53 N 0.13 0.30 0.30 0.89 1.01 -1.26 -5.13 120.40 116.63 2jkd s VAL 53 Ca 0.40 -0.11 -0.30 0.00 0.00 0.00 0.00 61.98 61.98 2jkd s VAL 53 Cb -0.20 -0.29 -0.11 0.00 0.00 0.00 0.00 36.38 35.78 2jkd s VAL 53 CO 0.23 0.11 1.52 -1.61 0.00 0.00 0.00 175.10 175.36 2jkd s GLU 54 N 0.25 4.17 0.83 2.72 2.02 -1.26 -5.00 118.70 122.43 2jkd s GLU 54 Ca -0.02 2.49 -0.11 0.00 0.02 0.00 0.00 54.97 57.35 2jkd s GLU 54 Cb -0.05 -3.04 0.09 0.00 0.10 0.00 0.00 34.13 31.23 2jkd s GLU 54 CO -0.00 -0.54 1.09 -1.25 0.02 0.00 0.00 175.26 174.58 2jkd s PRO 55 N -0.85 1.78 0.60 0.39 0.04 -1.26 -4.93 135.00 130.77 2jkd s PRO 55 Ca 0.60 0.83 0.32 0.00 0.04 0.00 0.00 61.00 62.78 2jkd s PRO 55 Cb -0.46 -1.87 1.89 0.00 0.04 0.00 0.00 34.50 34.10 2jkd s PRO 55 CO 0.50 -1.88 2.26 -0.56 0.04 0.00 0.00 177.00 177.36 2jkd h GLN 56 N -1.29 0.00 -0.41 4.56 3.07 -2.01 -2.12 115.11 116.92 2jkd h GLN 56 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.27 2jkd h GLN 56 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.83 2jkd h GLN 56 CO 0.56 0.01 0.00 -0.40 0.09 0.00 0.00 178.83 179.08 2jkd n ASP 57 N -3.74 2.70 -4.65 0.06 5.68 -1.26 -4.99 116.55 110.35 2jkd n ASP 57 Ca -0.03 -1.93 -0.39 0.00 -0.50 0.00 0.00 54.79 51.94 2jkd n ASP 57 Cb 0.09 -0.27 0.04 0.00 -1.14 0.00 0.00 41.12 39.84 2jkd n ASP 57 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2jkd n ALA 58 N 0.98 0.57 -3.61 2.12 0.00 -0.80 -0.54 120.51 119.23 2jkd n ALA 58 Ca 0.18 0.10 -0.10 0.00 0.00 0.00 0.00 53.44 53.61 2jkd n ALA 58 Cb 0.46 -2.17 -0.06 0.00 0.00 0.00 0.00 19.45 17.68 2jkd n ALA 58 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 2jkd s ILE 59 N -1.39 0.00 0.42 0.00 2.07 -1.13 -4.74 121.20 116.43 2jkd s ILE 59 Ca 0.71 0.00 -0.18 0.00 -1.41 0.00 0.00 60.65 59.77 2jkd s ILE 59 Cb -0.45 -1.00 -0.10 0.00 0.13 0.00 0.00 42.46 41.04 2jkd s ILE 59 CO 0.50 0.00 0.90 -0.94 -1.91 0.00 0.00 174.94 173.49 2jkd s SER 60 N -0.39 6.81 0.27 4.50 1.04 -1.26 -4.32 113.70 120.36 2jkd s SER 60 Ca 0.00 1.54 -0.02 0.00 0.48 0.00 0.00 55.95 57.95 2jkd s SER 60 Cb -0.03 -2.48 0.44 0.00 0.10 0.00 0.00 66.02 64.05 2jkd s SER 60 CO -0.02 -0.37 1.87 -0.65 0.98 0.00 0.00 173.24 175.05 2jkd h PRO 61 N 1.76 1.09 -0.01 4.02 0.11 -1.71 -2.10 132.00 135.16 2jkd h PRO 61 Ca -0.48 -0.07 0.03 0.00 0.11 0.00 0.00 66.00 65.59 2jkd h PRO 61 Cb 1.18 -0.25 -0.06 0.00 0.11 0.00 0.00 31.00 31.99 2jkd h PRO 61 CO 0.62 0.72 -0.44 -0.44 -0.21 0.00 0.00 178.00 178.25 2jkd h ASP 62 N 1.12 -1.36 -0.92 -2.05 3.32 -1.40 -1.01 116.42 114.12 2jkd h ASP 62 Ca 0.45 0.16 0.02 0.00 0.02 0.00 0.00 57.03 57.68 2jkd h ASP 62 Cb 0.25 0.53 -0.05 0.00 0.22 0.00 0.00 39.33 40.27 2jkd h ASP 62 CO -0.20 -0.47 0.60 0.78 -1.72 0.00 0.00 179.24 178.24 2jkd h ASN 63 N -0.59 1.03 -0.48 6.45 2.35 -1.78 0.85 115.58 123.41 2jkd h ASN 63 Ca 0.04 -0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.77 2jkd h ASN 63 Cb 0.67 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.77 2jkd h ASN 63 CO -0.33 0.73 0.28 0.22 -1.65 0.00 0.00 177.43 176.68 2jkd h TYR 64 N 1.21 0.64 -0.18 1.19 5.03 -1.18 -1.86 116.97 121.82 2jkd h TYR 64 Ca 0.35 -0.01 -0.17 0.00 2.58 0.00 0.00 58.73 61.49 2jkd h TYR 64 Cb -0.08 -0.21 -0.00 0.00 1.55 0.00 0.00 36.73 37.99 2jkd h TYR 64 CO -0.01 0.46 -0.58 0.52 -1.32 0.00 0.00 178.16 177.22 2jkd h MET 65 N 0.64 0.58 -0.34 1.82 2.86 -0.85 -3.03 114.93 116.60 2jkd h MET 65 Ca 0.17 -0.38 0.04 0.00 -2.06 0.00 0.00 59.70 57.47 2jkd h MET 65 Cb 0.01 0.05 -0.04 0.00 0.06 0.00 0.00 31.60 31.68 2jkd h MET 65 CO -0.03 0.99 0.11 -0.44 1.06 0.00 0.00 176.91 178.61 2jkd h ASP 66 N 0.44 0.11 -0.30 1.22 3.32 -0.61 -1.85 116.42 118.74 2jkd h ASP 66 Ca 0.00 0.04 0.06 0.00 0.02 0.00 0.00 57.03 57.15 2jkd h ASP 66 Cb 1.14 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.71 2jkd h ASP 66 CO 0.11 0.10 0.21 0.24 -1.72 0.00 0.00 179.24 178.18 2jkd h MET 67 N 0.25 0.12 -0.01 3.56 2.86 -1.27 0.17 114.93 120.62 2jkd h MET 67 Ca 0.16 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 2jkd h MET 67 Cb 0.13 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.77 2jkd h MET 67 CO -0.17 0.08 0.00 1.28 1.06 0.00 0.00 176.91 179.17 2jkd n LEU 68 N -4.47 0.31 -1.84 1.22 4.77 -0.72 -4.91 117.00 111.35 2jkd n LEU 68 Ca 0.04 -0.11 -0.20 0.00 -0.03 0.00 0.00 56.01 55.71 2jkd n LEU 68 Cb 0.29 -0.01 -0.05 0.00 -2.33 0.00 0.00 43.42 41.32 2jkd n LEU 68 CO 0.35 0.06 -0.22 0.61 -1.33 0.00 0.00 177.39 176.86 2jkd n GLY 69 N 0.96 0.80 3.73 -0.72 0.00 0.60 -4.97 105.19 105.59 2jkd n GLY 69 Ca 0.20 -0.07 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 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 -5.01 4.32 0.56 0.99 1.43 -1.15 -5.06 118.68 114.77 2jkd s LEU 70 Ca 0.00 1.06 -0.16 0.00 -1.03 0.00 0.00 54.13 54.00 2jkd s LEU 70 Cb 0.00 -2.92 -0.05 0.00 0.03 0.00 0.00 46.19 43.24 2jkd s LEU 70 CO 0.00 -0.04 1.02 -0.70 0.23 0.00 0.00 176.35 176.87 2jkd s GLU 71 N 0.55 3.60 0.31 1.70 2.12 -1.26 -4.72 118.70 121.00 2jkd s GLU 71 Ca 0.32 1.06 0.07 0.00 0.36 0.00 0.00 54.97 56.79 2jkd s GLU 71 Cb -0.17 -2.08 0.88 0.00 0.26 0.00 0.00 34.13 33.02 2jkd s GLU 71 CO 0.15 -0.57 1.48 0.00 -0.54 0.00 0.00 175.26 175.79 2jkd n ALA 72 N -1.90 0.62 0.26 6.30 0.00 -1.26 -0.49 120.51 124.05 2jkd n ALA 72 Ca 0.08 1.00 0.14 0.00 0.00 0.00 0.00 53.44 54.66 2jkd n ALA 72 Cb 0.53 -0.80 0.70 0.00 0.00 0.00 0.00 19.45 19.88 2jkd n ALA 72 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 2jkd h ARG 73 N 0.00 0.00 -0.65 0.00 0.11 -1.99 -3.05 114.38 108.80 2jkd h ARG 73 Ca 0.64 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.72 2jkd h ARG 73 Cb 1.45 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.53 2jkd h ARG 73 CO -0.84 0.11 0.00 -0.25 0.10 0.00 0.00 179.97 179.08 2jkd n ASP 74 N -3.38 4.52 -4.81 0.08 8.00 0.36 -3.92 116.55 117.41 2jkd n ASP 74 Ca -0.01 -2.43 -0.22 0.00 0.71 0.00 0.00 54.79 52.84 2jkd n ASP 74 Cb 0.29 -0.57 -0.05 0.00 -0.02 0.00 0.00 41.12 40.77 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 -1.86 2.58 -0.19 -1.24 0.52 -1.16 -4.88 118.95 112.73 2jkd s ARG 75 Ca 0.48 -1.40 -0.13 0.00 -0.52 0.00 0.00 55.73 54.16 2jkd s ARG 75 Cb 0.31 -2.35 -0.05 0.00 0.52 0.00 0.00 34.95 33.38 2jkd s ARG 75 CO 0.23 0.10 0.28 0.99 0.02 0.00 0.00 175.30 176.91 2jkd s THR 76 N -2.36 5.30 0.25 0.02 2.01 -1.26 -4.73 115.64 114.87 2jkd s THR 76 Ca 0.40 0.49 0.07 0.00 0.31 0.00 0.00 61.69 62.95 2jkd s THR 76 Cb -0.04 -3.62 -0.04 0.00 0.01 0.00 0.00 72.50 68.81 2jkd s THR 76 CO 0.25 0.35 0.20 -0.04 -0.69 0.00 0.00 174.62 174.69 2jkd s MET 77 N 0.78 2.95 -0.02 4.92 1.00 -0.27 -4.94 119.30 123.73 2jkd s MET 77 Ca 0.15 -1.04 0.03 0.00 0.00 0.00 0.00 55.69 54.82 2jkd s MET 77 Cb -0.13 -2.58 -0.00 0.00 0.00 0.00 0.00 34.83 32.12 2jkd s MET 77 CO 0.04 0.40 -0.09 0.71 0.00 0.00 0.00 175.02 176.09 2jkd s TYR 78 N -2.12 0.83 0.04 -0.03 2.02 -1.26 -0.59 117.35 116.24 2jkd s TYR 78 Ca 0.33 -0.18 -0.07 0.00 -0.37 0.00 0.00 57.07 56.78 2jkd s TYR 78 Cb -0.08 -0.57 -0.01 0.00 -0.40 0.00 0.00 41.96 40.91 2jkd s TYR 78 CO 0.25 -0.05 0.13 -1.83 -1.57 0.00 0.00 175.55 172.48 2jkd s GLU 79 N -0.01 0.65 -0.29 -0.62 -1.05 -0.76 -1.45 118.70 115.16 2jkd s GLU 79 Ca 0.00 -0.74 -0.07 0.00 -0.15 0.00 0.00 54.97 54.02 2jkd s GLU 79 Cb -0.06 0.26 0.01 0.00 -0.44 0.00 0.00 34.13 33.90 2jkd s GLU 79 CO -0.00 -0.17 0.07 -1.17 0.95 0.00 0.00 175.26 174.94 2jkd s LEU 80 N -2.19 3.83 -0.29 1.83 2.96 0.33 -1.18 118.68 123.96 2jkd s LEU 80 Ca -0.04 -0.73 -0.13 0.00 -0.22 0.00 0.00 54.13 53.02 2jkd s LEU 80 Cb -0.00 -1.87 -0.04 0.00 0.50 0.00 0.00 46.19 44.78 2jkd s LEU 80 CO -0.05 -0.19 0.25 -0.69 -1.32 0.00 0.00 176.35 174.35 2jkd s VAL 81 N 1.49 5.26 -0.20 1.68 1.01 0.68 -0.76 120.40 129.56 2jkd s VAL 81 Ca 0.02 0.19 -0.10 0.00 0.00 0.00 0.00 61.98 62.08 2jkd s VAL 81 Cb -0.17 -3.62 -0.05 0.00 0.00 0.00 0.00 36.38 32.54 2jkd s VAL 81 CO 0.02 0.16 0.15 -0.63 0.00 0.00 0.00 175.10 174.80 2jkd s ILE 82 N 1.85 5.40 0.03 2.22 -1.09 0.95 -0.10 121.20 130.45 2jkd s ILE 82 Ca 0.09 0.23 0.08 0.00 -2.23 0.00 0.00 60.65 58.82 2jkd s ILE 82 Cb -0.16 -3.49 -0.03 0.00 -1.58 0.00 0.00 42.46 37.20 2jkd s ILE 82 CO 0.11 0.43 -0.24 -0.31 -1.23 0.00 0.00 174.94 173.69 2jkd s TYR 83 N 0.41 2.15 -0.35 3.97 2.02 -0.16 -0.06 117.35 125.33 2jkd s TYR 83 Ca 0.09 -0.40 -0.27 0.00 -0.37 0.00 0.00 57.07 56.12 2jkd s TYR 83 Cb -0.11 -1.31 0.01 0.00 -0.40 0.00 0.00 41.96 40.15 2jkd s TYR 83 CO -0.01 0.08 0.96 1.03 -1.57 0.00 0.00 175.55 176.03 2jkd s ARG 84 N -1.05 3.91 0.42 -0.62 0.52 -1.26 -1.14 118.95 119.73 2jkd s ARG 84 Ca 0.10 0.72 0.13 0.00 -0.52 0.00 0.00 55.73 56.15 2jkd s ARG 84 Cb -0.09 -3.78 0.98 0.00 0.52 0.00 0.00 34.95 32.57 2jkd s ARG 84 CO 0.01 -0.92 1.96 -0.22 0.02 0.00 0.00 175.30 176.15 2jkd h LYS 85 N 8.36 0.47 0.00 3.54 3.64 -0.18 -2.03 116.57 130.37 2jkd h LYS 85 Ca -0.23 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.10 2jkd h LYS 85 Cb 1.07 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.79 2jkd h LYS 85 CO 0.99 0.31 -0.13 -2.95 -2.27 0.00 0.00 179.45 175.40 2jkd h ASN 86 N 0.48 0.00 -0.89 4.20 -1.07 -1.92 -3.40 115.58 112.98 2jkd h ASN 86 Ca 0.31 0.00 -0.03 0.00 0.07 0.00 0.00 56.30 56.66 2jkd h ASN 86 Cb 0.57 0.00 -0.19 0.00 -2.07 0.00 0.00 38.32 36.63 2jkd h ASN 86 CO -0.10 0.13 -0.40 1.51 0.07 0.00 0.00 177.43 178.65 2jkd s ASP 87 N -6.28 -1.38 0.00 6.14 -4.77 -0.77 -4.99 116.67 104.62 2jkd s ASP 87 Ca -0.03 -0.61 0.22 0.00 -3.30 0.00 0.00 52.55 48.83 2jkd s ASP 87 Cb 0.14 1.77 1.26 0.00 -1.09 0.00 0.00 42.92 44.99 2jkd s ASP 87 CO 0.60 -0.16 1.82 0.29 0.70 0.00 0.00 175.17 178.42 2jkd n LYS 88 N 4.42 1.09 0.19 2.11 5.02 -1.17 -4.03 118.16 125.80 2jkd n LYS 88 Ca 0.10 -0.13 -0.15 0.00 -2.02 0.00 0.00 58.31 56.11 2jkd n LYS 88 Cb 0.58 -1.35 -0.08 0.00 -0.02 0.00 0.00 35.03 34.15 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 0.29 -0.38 0.15 4.39 5.19 -1.94 -2.79 116.42 121.33 2jkd h ASP 89 Ca 0.00 -0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.37 2jkd h ASP 89 Cb 0.06 0.10 0.00 0.00 0.18 0.00 0.00 39.33 39.67 2jkd h ASP 89 CO 0.00 -0.20 0.00 0.29 -3.12 0.00 0.00 179.24 176.21 2jkd n LYS 90 N -5.25 0.00 0.00 3.56 5.02 -1.26 -4.98 118.16 115.26 2jkd n LYS 90 Ca -0.10 0.42 0.00 0.00 -2.02 0.00 0.00 58.31 56.61 2jkd n LYS 90 Cb 0.22 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.73 2jkd n LYS 90 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2jkd n GLY 91 N -1.04 -1.84 3.73 0.72 0.00 -1.05 -4.97 105.19 100.73 2jkd n GLY 91 Ca 0.01 -1.98 -0.42 0.00 0.00 0.00 0.00 46.02 43.63 2jkd n GLY 91 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2jkd s PRO 92 N 0.00 4.27 0.09 1.61 0.02 -1.26 -4.68 135.00 135.05 2jkd s PRO 92 Ca 0.00 2.26 -0.17 0.00 0.02 0.00 0.00 61.00 63.11 2jkd s PRO 92 Cb 0.00 -3.16 -0.07 0.00 0.02 0.00 0.00 34.50 31.28 2jkd s PRO 92 CO 0.00 -0.49 1.47 2.35 -0.33 0.00 0.00 177.00 180.01 2jkd h TRP 93 N 6.17 0.67 -3.02 6.54 7.01 -0.82 -3.47 115.95 129.02 2jkd h TRP 93 Ca -0.44 -0.15 -0.10 0.00 2.11 0.00 0.00 58.89 60.31 2jkd h TRP 93 Cb 1.21 -0.16 -0.18 0.00 -2.10 0.00 0.00 29.16 27.93 2jkd h TRP 93 CO 0.63 0.80 -0.19 0.15 -2.79 0.00 0.00 178.44 177.04 2jkd s LYS 94 N -4.68 0.80 -0.12 2.65 1.02 -1.09 -5.03 119.74 113.29 2jkd s LYS 94 Ca -0.13 -0.28 0.02 0.00 0.02 0.00 0.00 55.97 55.60 2jkd s LYS 94 Cb 0.08 0.35 0.01 0.00 -0.52 0.00 0.00 37.83 37.76 2jkd s LYS 94 CO 0.79 -0.25 -0.19 1.03 -0.92 0.00 0.00 175.35 175.81 2jkd s ARG 95 N -1.92 2.61 -0.14 1.68 0.52 -1.26 -0.03 118.95 120.40 2jkd s ARG 95 Ca -0.09 -0.71 -0.03 0.00 -0.52 0.00 0.00 55.73 54.39 2jkd s ARG 95 Cb -0.03 -2.14 -0.03 0.00 0.52 0.00 0.00 34.95 33.28 2jkd s ARG 95 CO 0.01 -0.02 -0.05 0.71 0.02 0.00 0.00 175.30 175.97 2jkd s TYR 96 N 0.85 3.00 -0.09 -0.53 1.51 0.06 -4.95 117.35 117.19 2jkd s TYR 96 Ca -0.08 -0.26 -0.29 0.00 -1.01 0.00 0.00 57.07 55.43 2jkd s TYR 96 Cb -0.15 -1.90 -0.01 0.00 -0.11 0.00 0.00 41.96 39.78 2jkd s TYR 96 CO -0.01 0.03 0.99 0.34 -1.11 0.00 0.00 175.55 175.79 2jkd s ASP 97 N 0.12 7.24 -0.22 2.29 -1.08 -1.26 -0.52 116.67 123.24 2jkd s ASP 97 Ca -0.02 1.52 0.14 0.00 -0.52 0.00 0.00 52.55 53.68 2jkd s ASP 97 Cb -0.14 -2.55 0.51 0.00 -1.46 0.00 0.00 42.92 39.28 2jkd s ASP 97 CO 0.03 -0.41 1.43 0.18 0.52 0.00 0.00 175.17 176.92 2jkd n LEU 98 N 4.84 3.91 -0.05 -1.34 4.77 -0.53 -4.71 117.00 123.89 2jkd n LEU 98 Ca 0.08 -3.29 -0.12 0.00 -0.03 0.00 0.00 56.01 52.65 2jkd n LEU 98 Cb 0.49 -0.57 -0.14 0.00 -2.33 0.00 0.00 43.42 40.86 2jkd n LEU 98 CO 0.52 0.88 -0.82 0.59 -1.33 0.00 0.00 177.39 177.23 2jkd n ASN 99 N -0.80 0.96 0.21 -1.43 3.02 -1.26 -4.50 115.26 111.47 2jkd n ASN 99 Ca 0.26 0.22 0.14 0.00 -0.03 0.00 0.00 54.58 55.16 2jkd n ASN 99 Cb 0.94 0.05 0.38 0.00 -0.61 0.00 0.00 39.78 40.53 2jkd n ASN 99 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 2jkd h GLY 100 N 3.08 0.00 -3.17 7.41 0.00 -1.96 -0.34 103.07 108.09 2jkd h GLY 100 Ca -0.41 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.39 2jkd h GLY 100 CO 0.05 0.00 -0.78 0.50 0.00 0.00 0.00 176.54 176.31 2jkd s ARG 101 N -3.33 1.32 0.00 4.80 0.52 -1.26 -4.90 118.95 116.09 2jkd s ARG 101 Ca 0.06 -1.45 0.27 0.00 -0.52 0.00 0.00 55.73 54.09 2jkd s ARG 101 Cb 0.08 -1.37 0.85 0.00 0.52 0.00 0.00 34.95 35.02 2jkd s ARG 101 CO 0.60 0.28 1.64 -1.13 0.02 0.00 0.00 175.30 176.70 2jkd n SER 102 N 0.19 0.49 -3.68 0.23 3.41 -1.26 -4.22 113.62 108.78 2jkd n SER 102 Ca -0.12 -0.30 -0.13 0.00 -0.26 0.00 0.00 58.87 58.07 2jkd n SER 102 Cb 0.57 0.02 -0.09 0.00 -0.26 0.00 0.00 64.21 64.45 2jkd n SER 102 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jkd s TYR 104 N 0.57 0.84 -0.22 0.00 2.02 0.02 -4.98 117.35 115.59 2jkd s TYR 104 Ca -0.02 -0.27 -0.21 0.00 -0.37 0.00 0.00 57.07 56.21 2jkd s TYR 104 Cb -0.05 -0.78 -0.02 0.00 -0.40 0.00 0.00 41.96 40.72 2jkd s TYR 104 CO -0.03 -0.26 0.63 -1.17 -1.57 0.00 0.00 175.55 173.15 2jkd s LEU 105 N 1.25 4.11 -0.13 -1.29 2.96 -1.26 -0.93 118.68 123.38 2jkd s LEU 105 Ca -0.06 0.78 -0.06 0.00 -0.22 0.00 0.00 54.13 54.57 2jkd s LEU 105 Cb -0.14 -2.88 -0.04 0.00 0.50 0.00 0.00 46.19 43.63 2jkd s LEU 105 CO -0.02 -0.32 0.09 -0.69 -1.32 0.00 0.00 176.35 174.10 2jkd s VAL 106 N 2.17 5.11 0.03 1.68 1.01 0.38 -0.39 120.40 130.39 2jkd s VAL 106 Ca 0.28 0.07 -0.28 0.00 0.00 0.00 0.00 61.98 62.04 2jkd s VAL 106 Cb -0.16 -3.24 0.10 0.00 0.00 0.00 0.00 36.38 33.08 2jkd s VAL 106 CO 0.09 0.56 1.23 -0.83 0.00 0.00 0.00 175.10 176.16 2jkd s GLY 107 N -0.56 -0.20 0.18 4.51 0.00 -0.91 -1.70 107.32 108.65 2jkd s GLY 107 Ca 0.11 0.22 -0.32 0.00 0.00 0.00 0.00 44.72 44.74 2jkd s GLY 107 CO 0.02 2.78 1.69 -1.60 0.00 0.00 0.00 173.10 175.99 2jkd s ARG 108 N -2.26 4.15 -0.33 2.90 3.52 0.05 -0.80 118.95 126.18 2jkd s ARG 108 Ca 0.22 2.53 0.01 0.00 -0.13 0.00 0.00 55.73 58.36 2jkd s ARG 108 Cb 0.01 -3.16 0.14 0.00 -1.56 0.00 0.00 34.95 30.38 2jkd s ARG 108 CO -0.01 -0.72 0.31 -2.00 -0.81 0.00 0.00 175.30 172.07 2jkd s GLU 109 N 1.35 0.46 -0.07 5.12 2.12 0.44 -4.67 118.70 123.45 2jkd s GLU 109 Ca 0.74 -0.54 -0.23 0.00 0.36 0.00 0.00 54.97 55.30 2jkd s GLU 109 Cb -0.47 -0.76 -0.19 0.00 0.26 0.00 0.00 34.13 32.97 2jkd s GLU 109 CO 0.32 -1.11 0.92 -0.07 -0.54 0.00 0.00 175.26 174.79 2jkd h LEU 110 N 7.70 -0.08 0.00 2.70 3.38 -1.92 -2.99 115.31 124.10 2jkd h LEU 110 Ca -0.05 -0.53 0.00 0.00 0.09 0.00 0.00 57.88 57.39 2jkd h LEU 110 Cb 1.06 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.83 2jkd h LEU 110 CO 0.28 0.55 0.00 0.61 0.09 0.00 0.00 178.44 179.98 2jkd n GLY 111 N 0.78 0.98 0.15 0.83 0.00 -1.26 -4.81 105.19 101.85 2jkd n GLY 111 Ca -0.08 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.69 2jkd n GLY 111 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 2jkd h HIS 112 N 0.00 0.94 -3.98 1.61 -0.00 -2.04 -3.52 115.15 108.16 2jkd h HIS 112 Ca 0.00 -0.69 -0.69 0.00 -0.00 0.00 0.00 60.37 59.00 2jkd h HIS 112 Cb 0.00 -0.04 -0.27 0.00 -0.00 0.00 0.00 27.41 27.10 2jkd h HIS 112 CO 0.00 1.54 -0.82 0.99 -0.00 0.00 0.00 177.93 179.65 2jkd s THR 122 N -2.58 2.64 0.72 6.12 2.01 -1.26 -5.29 115.64 118.01 2jkd s THR 122 Ca -0.10 -0.86 -0.15 0.00 0.31 0.00 0.00 61.69 60.89 2jkd s THR 122 Cb 0.04 -2.01 0.04 0.00 0.01 0.00 0.00 72.50 70.57 2jkd s THR 122 CO 0.93 0.57 1.23 -1.83 -0.69 0.00 0.00 174.62 174.84 2jkd s GLU 123 N -0.36 2.14 -0.28 4.92 -1.05 -1.26 -5.02 118.70 117.79 2jkd s GLU 123 Ca 0.03 1.84 -0.07 0.00 -0.15 0.00 0.00 54.97 56.62 2jkd s GLU 123 Cb -0.12 -1.82 -0.01 0.00 -0.44 0.00 0.00 34.13 31.74 2jkd s GLU 123 CO 0.02 -1.86 0.08 -1.50 0.95 0.00 0.00 175.26 172.96 2jkd s ILE 124 N -1.86 4.14 -0.21 1.83 1.10 -1.26 -5.07 121.20 119.88 2jkd s ILE 124 Ca 0.76 -0.49 -0.26 0.00 -0.51 0.00 0.00 60.65 60.16 2jkd s ILE 124 Cb -0.31 -3.06 -0.01 0.00 0.15 0.00 0.00 42.46 39.23 2jkd s ILE 124 CO 0.45 0.17 0.87 -0.69 -2.11 0.00 0.00 174.94 173.62 2jkd s VAL 125 N 1.55 4.83 -0.15 4.00 1.01 -1.26 -4.88 120.40 125.49 2jkd s VAL 125 Ca 0.04 1.67 0.02 0.00 0.00 0.00 0.00 61.98 63.71 2jkd s VAL 125 Cb -0.16 -4.16 -0.11 0.00 0.00 0.00 0.00 36.38 31.95 2jkd s VAL 125 CO 0.03 -0.05 -0.12 0.52 0.00 0.00 0.00 175.10 175.48 2jkd n VAL 126 N 5.07 0.89 -1.89 2.92 0.31 -1.26 -5.04 118.33 119.33 2jkd n VAL 126 Ca 0.06 -0.36 -0.33 0.00 -0.01 0.00 0.00 64.34 63.70 2jkd n VAL 126 Cb 0.48 -1.02 0.03 0.00 -0.91 0.00 0.00 33.84 32.42 2jkd n VAL 126 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2jkd s ALA 127 N -2.31 2.56 0.00 3.52 0.00 -1.26 -4.97 121.76 119.30 2jkd s ALA 127 Ca -0.20 0.54 -0.06 0.00 0.00 0.00 0.00 51.96 52.25 2jkd s ALA 127 Cb 0.05 -3.30 -0.29 0.00 0.00 0.00 0.00 23.12 19.58 2jkd s ALA 127 CO 0.38 -1.10 0.86 -0.44 0.00 0.00 0.00 175.76 175.46 2jkd h ASP 128 N 0.27 0.47 -3.69 0.00 3.32 -1.10 -3.41 116.42 112.28 2jkd h ASP 128 Ca -0.47 -0.63 -0.67 0.00 0.02 0.00 0.00 57.03 55.28 2jkd h ASP 128 Cb 1.24 -0.15 -0.38 0.00 0.22 0.00 0.00 39.33 40.25 2jkd h ASP 128 CO 0.55 1.52 -0.66 -0.63 -1.72 0.00 0.00 179.24 178.31 2jkd s ILE 129 N -2.61 2.61 0.03 0.35 1.01 -0.61 -5.01 121.20 116.97 2jkd s ILE 129 Ca -0.10 -2.35 -0.19 0.00 0.00 0.00 0.00 60.65 58.01 2jkd s ILE 129 Cb 0.06 -2.87 -0.06 0.00 0.01 0.00 0.00 42.46 39.60 2jkd s ILE 129 CO 0.86 -0.65 0.56 -0.83 0.00 0.00 0.00 174.94 174.88 2jkd s GLY 130 N 1.06 2.62 -0.07 6.18 0.00 -1.26 -2.14 107.32 113.72 2jkd s GLY 130 Ca 0.11 -0.00 0.05 0.00 0.00 0.00 0.00 44.72 44.87 2jkd s GLY 130 CO -0.06 0.54 -0.21 -0.42 0.00 0.00 0.00 173.10 172.94 2jkd s ILE 131 N -0.72 1.81 -0.01 0.90 -1.09 0.02 -4.72 121.20 117.37 2jkd s ILE 131 Ca 0.29 -0.90 -0.04 0.00 -2.23 0.00 0.00 60.65 57.76 2jkd s ILE 131 Cb -0.19 -1.56 -0.19 0.00 -1.58 0.00 0.00 42.46 38.95 2jkd s ILE 131 CO 0.17 0.51 2.72 -2.65 -1.23 0.00 0.00 174.94 174.46 2jkd n PRO 132 N 3.29 1.44 -3.72 2.79 -0.02 -1.13 -0.42 135.00 137.23 2jkd n PRO 132 Ca -0.19 -0.72 -0.37 0.00 -2.02 0.00 0.00 63.50 60.20 2jkd n PRO 132 Cb 0.52 -1.86 -0.12 0.00 -0.02 0.00 0.00 33.50 32.02 2jkd n PRO 132 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2jkd s GLU 133 N 1.60 3.47 0.26 -0.52 2.56 -1.26 -4.94 118.70 119.86 2jkd s GLU 133 Ca 0.48 -0.61 0.09 0.00 0.00 0.00 0.00 54.97 54.93 2jkd s GLU 133 Cb 0.23 -3.42 0.33 0.00 2.00 0.00 0.00 34.13 33.26 2jkd s GLU 133 CO -0.00 -0.30 1.60 1.49 -0.56 0.00 0.00 175.26 177.48 2jkd h GLU 134 N 8.28 0.03 -0.00 4.30 4.81 -1.89 -3.03 114.58 127.08 2jkd h GLU 134 Ca -0.35 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.86 2jkd h GLU 134 Cb 1.16 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.54 2jkd h GLU 134 CO 0.59 0.65 -0.06 0.25 -0.73 0.00 0.00 179.01 179.71 2jkd n THR 135 N -3.80 0.00 -3.38 0.32 -2.24 -1.26 -4.86 114.28 99.06 2jkd n THR 135 Ca -0.01 -0.04 -0.32 0.00 -2.27 0.00 0.00 64.05 61.41 2jkd n THR 135 Cb 0.63 -0.25 -0.05 0.00 -2.10 0.00 0.00 70.33 68.55 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 -2.46 6.66 0.49 3.42 1.04 -1.14 -4.51 113.70 117.20 2jkd s SER 136 Ca 0.31 0.98 -0.13 0.00 0.48 0.00 0.00 55.95 57.58 2jkd s SER 136 Cb 0.20 -2.25 -0.07 0.00 0.10 0.00 0.00 66.02 64.01 2jkd s SER 136 CO 0.46 -0.08 0.90 -0.44 0.98 0.00 0.00 173.24 175.07 2jkd s SER 137 N -2.30 6.52 0.23 7.02 0.01 -1.26 -4.41 113.70 119.50 2jkd s SER 137 Ca 0.48 1.36 -0.06 0.00 1.31 0.00 0.00 55.95 59.04 2jkd s SER 137 Cb -0.11 -2.42 0.37 0.00 0.21 0.00 0.00 66.02 64.06 2jkd s SER 137 CO 0.21 -0.56 1.77 0.50 0.41 0.00 0.00 173.24 175.57 2jkd h LYS 138 N 0.83 0.58 -3.15 12.44 1.63 -1.93 0.19 116.57 127.17 2jkd h LYS 138 Ca -0.47 -0.03 -0.63 0.00 -0.85 0.00 0.00 60.65 58.67 2jkd h LYS 138 Cb 1.19 -0.13 -0.41 0.00 -0.60 0.00 0.00 32.23 32.28 2jkd h LYS 138 CO 0.62 0.38 -0.64 -0.65 -3.45 0.00 0.00 179.45 175.72 2jkd s GLN 139 N -6.05 2.01 -0.11 1.90 -0.21 -1.26 -3.94 119.66 112.00 2jkd s GLN 139 Ca -0.13 -2.79 -0.05 0.00 0.02 0.00 0.00 55.36 52.41 2jkd s GLN 139 Cb 0.19 -3.12 -0.02 0.00 1.00 0.00 0.00 33.01 31.06 2jkd s GLN 139 CO 0.76 -1.20 -0.10 1.25 -2.12 0.00 0.00 175.29 173.88 2jkd h HIS 140 N 6.05 0.00 -3.75 0.91 2.76 -1.28 -3.43 115.15 116.41 2jkd h HIS 140 Ca 0.04 0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 58.13 2jkd h HIS 140 Cb 0.84 0.00 -0.13 0.00 1.55 0.00 0.00 27.41 29.67 2jkd h HIS 140 CO 0.57 0.00 -0.30 0.00 -1.30 0.00 0.00 177.93 176.89 2jkd s VAL 142 N -3.88 2.58 -0.28 0.00 -7.23 -0.40 -0.47 120.40 110.72 2jkd s VAL 142 Ca 0.07 -1.22 -0.08 0.00 -1.81 0.00 0.00 61.98 58.95 2jkd s VAL 142 Cb 0.04 -2.05 -0.01 0.00 0.56 0.00 0.00 36.38 34.92 2jkd s VAL 142 CO -0.09 0.37 0.09 -0.63 -0.31 0.00 0.00 175.10 174.53 2jkd s ILE 143 N -0.86 4.23 -0.11 -0.62 1.01 -0.11 -1.28 121.20 123.46 2jkd s ILE 143 Ca 0.13 -0.40 0.02 0.00 0.00 0.00 0.00 60.65 60.40 2jkd s ILE 143 Cb -0.10 -3.08 0.01 0.00 0.01 0.00 0.00 42.46 39.30 2jkd s ILE 143 CO 0.04 0.20 -0.18 -1.58 0.00 0.00 0.00 174.94 173.42 2jkd s GLN 144 N 1.57 2.43 -0.06 2.79 2.00 0.96 -0.80 119.66 128.54 2jkd s GLN 144 Ca 0.05 -0.65 -0.11 0.00 -2.00 0.00 0.00 55.36 52.66 2jkd s GLN 144 Cb -0.16 -1.98 -0.05 0.00 0.80 0.00 0.00 33.01 31.62 2jkd s GLN 144 CO 0.04 0.00 0.27 -0.06 -0.50 0.00 0.00 175.29 175.04 2jkd s PHE 145 N 0.79 3.66 -0.01 1.67 0.40 0.37 -0.57 117.98 124.29 2jkd s PHE 145 Ca -0.10 0.75 -0.02 0.00 -0.60 0.00 0.00 56.93 56.96 2jkd s PHE 145 Cb -0.16 -2.10 -0.00 0.00 0.51 0.00 0.00 43.02 41.27 2jkd s PHE 145 CO 0.01 0.69 0.04 1.03 0.70 0.00 0.00 175.22 177.69 2jkd s ARG 146 N -1.07 0.14 -0.88 0.44 0.52 -0.27 -2.83 118.95 115.00 2jkd s ARG 146 Ca 0.19 -0.10 -0.18 0.00 -0.52 0.00 0.00 55.73 55.12 2jkd s ARG 146 Cb -0.14 0.06 0.14 0.00 0.52 0.00 0.00 34.95 35.52 2jkd s ARG 146 CO 0.09 -0.02 1.04 1.21 0.02 0.00 0.00 175.30 177.64 2jkd s ASN 147 N -0.38 6.58 -1.05 0.23 3.84 0.29 -1.77 114.94 122.69 2jkd s ASN 147 Ca -0.04 -2.01 -0.18 0.00 0.21 0.00 0.00 52.86 50.83 2jkd s ASN 147 Cb -0.03 -2.37 0.12 0.00 -0.55 0.00 0.00 41.25 38.42 2jkd s ASN 147 CO -0.00 -1.03 1.32 -0.69 -2.79 0.00 0.00 177.10 173.91 2jkd s VAL 148 N 2.47 4.59 -1.44 -5.21 1.01 -0.61 -4.43 120.40 116.77 2jkd s VAL 148 Ca 0.29 -1.70 -0.11 0.00 0.00 0.00 0.00 61.98 60.45 2jkd s VAL 148 Cb -0.08 -4.90 0.05 0.00 0.00 0.00 0.00 36.38 31.45 2jkd s VAL 148 CO -0.07 -1.67 1.09 0.54 0.00 0.00 0.00 175.10 175.00 2jkd n ARG 149 N 6.96 -6.83 -0.12 2.72 1.74 -1.26 -2.45 116.66 117.41 2jkd n ARG 149 Ca 0.31 0.72 0.00 0.00 -0.77 0.00 0.00 57.85 58.11 2jkd n ARG 149 Cb 0.48 -5.70 0.00 0.00 -1.02 0.00 0.00 32.46 26.22 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 -1.86 0.63 3.10 -0.13 0.00 -1.26 -5.07 105.19 100.59 2jkd n GLY 150 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.20 1.86 -0.12 -0.61 1.01 -1.03 -5.08 121.20 115.03 2jkd s ILE 151 Ca 0.00 -0.83 -0.29 0.00 0.00 0.00 0.00 60.65 59.53 2jkd s ILE 151 Cb 0.00 -1.68 -0.03 0.00 0.01 0.00 0.00 42.46 40.75 2jkd s ILE 151 CO 0.00 0.51 1.44 -0.22 0.00 0.00 0.00 174.94 176.67 2jkd s LEU 152 N 1.20 4.23 0.07 2.97 2.96 -1.26 -1.58 118.68 127.27 2jkd s LEU 152 Ca 0.01 1.92 0.05 0.00 -0.22 0.00 0.00 54.13 55.89 2jkd s LEU 152 Cb -0.14 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 42.99 2jkd s LEU 152 CO -0.08 -0.85 -0.14 -0.54 -1.32 0.00 0.00 176.35 173.42 2jkd s LYS 153 N 3.76 0.80 0.01 1.98 1.02 -0.73 -4.98 119.74 121.61 2jkd s LYS 153 Ca 0.63 -0.95 0.07 0.00 0.02 0.00 0.00 55.97 55.75 2jkd s LYS 153 Cb -0.27 -0.79 -0.03 0.00 -0.52 0.00 0.00 37.83 36.23 2jkd s LYS 153 CO 0.21 0.17 -0.22 0.00 -0.92 0.00 0.00 175.35 174.60 2jkd s TYR 155 N -0.77 0.58 0.02 0.00 1.51 0.26 -0.42 117.35 118.54 2jkd s TYR 155 Ca 0.12 -0.72 0.07 0.00 -1.01 0.00 0.00 57.07 55.53 2jkd s TYR 155 Cb -0.10 -0.37 -0.03 0.00 -0.11 0.00 0.00 41.96 41.35 2jkd s TYR 155 CO 0.02 -0.19 -0.20 0.54 -1.11 0.00 0.00 175.55 174.62 2jkd s VAL 156 N -2.42 2.66 -0.06 0.71 0.11 -0.13 -0.03 120.40 121.24 2jkd s VAL 156 Ca -0.03 -1.15 -0.01 0.00 -2.93 0.00 0.00 61.98 57.86 2jkd s VAL 156 Cb -0.03 -2.08 0.03 0.00 -1.53 0.00 0.00 36.38 32.76 2jkd s VAL 156 CO -0.03 0.40 -0.01 -0.32 -3.33 0.00 0.00 175.10 171.81 2jkd s MET 157 N -1.25 0.59 0.16 1.54 0.00 -0.41 -0.98 119.30 118.96 2jkd s MET 157 Ca 0.13 0.06 -0.30 0.00 0.00 0.00 0.00 55.69 55.59 2jkd s MET 157 Cb -0.10 -0.85 -0.07 0.00 0.00 0.00 0.00 34.83 33.81 2jkd s MET 157 CO 0.04 -0.22 1.04 0.34 0.00 0.00 0.00 175.02 176.21 2jkd s ASP 158 N 1.58 7.38 -0.68 1.11 2.15 -1.26 -1.28 116.67 125.67 2jkd s ASP 158 Ca -0.01 1.98 -0.02 0.00 0.43 0.00 0.00 52.55 54.93 2jkd s ASP 158 Cb -0.13 -2.60 0.31 0.00 -0.30 0.00 0.00 42.92 40.21 2jkd s ASP 158 CO -0.03 -0.13 2.16 0.18 -0.17 0.00 0.00 175.17 177.18 2jkd n LEU 159 N 2.39 7.30 -3.78 -1.34 4.77 -0.38 -1.16 117.00 124.79 2jkd n LEU 159 Ca 0.02 -4.40 -0.25 0.00 -0.03 0.00 0.00 56.01 51.35 2jkd n LEU 159 Cb 0.47 -1.07 0.02 0.00 -2.33 0.00 0.00 43.42 40.51 2jkd n LEU 159 CO 0.52 1.62 -0.13 0.47 -1.33 0.00 0.00 177.39 178.54 2jkd n ASP 160 N -0.31 -2.03 -4.76 -1.43 8.00 -1.26 -2.66 116.55 112.09 2jkd n ASP 160 Ca 0.53 -0.94 -0.33 0.00 0.71 0.00 0.00 54.79 54.76 2jkd n ASP 160 Cb 0.44 -3.52 0.06 0.00 -0.02 0.00 0.00 41.12 38.08 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 -4.11 4.94 0.16 -2.24 1.04 -1.26 -3.91 113.70 108.31 2jkd s SER 161 Ca 0.14 2.05 -0.15 0.00 0.48 0.00 0.00 55.95 58.46 2jkd s SER 161 Cb -0.05 -2.56 0.09 0.00 0.10 0.00 0.00 66.02 63.61 2jkd s SER 161 CO 0.85 -1.75 1.75 0.28 0.98 0.00 0.00 173.24 175.35 2jkd h SER 162 N -0.06 0.12 0.24 7.02 0.02 -1.92 -3.29 113.55 115.68 2jkd h SER 162 Ca -0.47 0.05 -0.08 0.00 -0.84 0.00 0.00 61.79 60.45 2jkd h SER 162 Cb 1.25 0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.82 2jkd h SER 162 CO 0.53 0.10 -1.83 0.59 -1.14 0.00 0.00 176.83 175.08 2jkd n ASN 163 N -5.03 0.24 0.00 3.07 3.02 -1.26 -5.07 115.26 110.22 2jkd n ASN 163 Ca 0.02 0.10 0.00 0.00 -0.03 0.00 0.00 54.58 54.67 2jkd n ASN 163 Cb 0.15 1.38 0.00 0.00 -0.61 0.00 0.00 39.78 40.70 2jkd n ASN 163 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jkd n GLY 164 N 1.34 1.48 3.39 7.41 0.00 -1.24 -1.82 105.19 115.75 2jkd n GLY 164 Ca -0.09 -1.89 -0.31 0.00 0.00 0.00 0.00 46.02 43.74 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 -2.66 2.46 0.01 2.61 2.01 -1.26 -1.74 115.64 117.07 2jkd s THR 165 Ca 0.00 -1.19 0.06 0.00 0.31 0.00 0.00 61.69 60.88 2jkd s THR 165 Cb 0.00 -1.97 -0.03 0.00 0.01 0.00 0.00 72.50 70.51 2jkd s THR 165 CO 0.00 0.42 -0.19 0.00 -0.69 0.00 0.00 174.62 174.17 2jkd s LEU 167 N -1.15 2.45 -1.50 0.00 2.96 -0.35 -1.52 118.68 119.55 2jkd s LEU 167 Ca 0.13 -0.86 -0.10 0.00 -0.22 0.00 0.00 54.13 53.08 2jkd s LEU 167 Cb -0.10 -1.44 0.07 0.00 0.50 0.00 0.00 46.19 45.22 2jkd s LEU 167 CO 0.03 -0.07 0.80 0.59 -1.32 0.00 0.00 176.35 176.38 2jkd n ASN 168 N 4.59 -3.07 -1.50 3.68 3.02 0.14 -1.79 115.26 120.34 2jkd n ASN 168 Ca -0.18 -0.87 -0.15 0.00 -0.03 0.00 0.00 54.58 53.35 2jkd n ASN 168 Cb 0.48 -3.55 -0.03 0.00 -0.61 0.00 0.00 39.78 36.06 2jkd n ASN 168 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2jkd n ASN 169 N -2.87 -4.66 -3.95 6.41 5.15 -1.26 -5.02 115.26 109.06 2jkd n ASN 169 Ca -0.08 0.14 -0.27 0.00 -0.60 0.00 0.00 54.58 53.77 2jkd n ASN 169 Cb 0.57 -3.68 -0.17 0.00 -0.53 0.00 0.00 39.78 35.98 2jkd n ASN 169 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2jkd s VAL 170 N -2.68 1.17 0.34 3.44 1.01 -0.74 -5.06 120.40 117.88 2jkd s VAL 170 Ca 0.00 -0.40 -0.29 0.00 0.00 0.00 0.00 61.98 61.29 2jkd s VAL 170 Cb 0.00 -1.14 -0.11 0.00 0.00 0.00 0.00 36.38 35.13 2jkd s VAL 170 CO 0.00 0.39 1.51 0.54 0.00 0.00 0.00 175.10 177.54 2jkd s VAL 171 N 1.46 2.12 0.21 2.92 0.11 -1.26 -1.22 120.40 124.75 2jkd s VAL 171 Ca 0.01 0.11 0.05 0.00 -2.93 0.00 0.00 61.98 59.23 2jkd s VAL 171 Cb -0.13 -3.07 -0.04 0.00 -1.53 0.00 0.00 36.38 31.61 2jkd s VAL 171 CO -0.06 0.02 0.22 0.27 -3.33 0.00 0.00 175.10 172.21 2jkd s ILE 172 N -0.69 4.71 0.52 7.04 -4.36 -0.44 -4.89 121.20 123.09 2jkd s ILE 172 Ca 0.56 -1.13 -0.17 0.00 -0.26 0.00 0.00 60.65 59.65 2jkd s ILE 172 Cb -0.46 -3.49 -0.07 0.00 1.25 0.00 0.00 42.46 39.69 2jkd s ILE 172 CO 0.56 -0.23 1.00 -2.16 0.24 0.00 0.00 174.94 174.35 2jkd s PRO 173 N -3.53 3.83 0.66 0.37 0.04 -1.26 -4.68 135.00 130.42 2jkd s PRO 173 Ca 0.33 1.04 -0.11 0.00 0.04 0.00 0.00 61.00 62.30 2jkd s PRO 173 Cb -0.09 -2.12 -0.01 0.00 0.04 0.00 0.00 34.50 32.32 2jkd s PRO 173 CO 0.26 -0.37 1.06 0.20 0.04 0.00 0.00 177.00 178.18 2jkd s GLY 174 N -2.89 1.65 -0.87 0.56 0.00 -1.26 -4.23 107.32 100.28 2jkd s GLY 174 Ca 0.61 -0.18 0.00 0.00 0.00 0.00 0.00 44.72 45.15 2jkd s GLY 174 CO 0.30 0.14 0.00 0.00 0.00 0.00 0.00 173.10 173.54 2jkd n ALA 175 N -2.89 -0.13 -3.07 3.20 0.00 -0.31 -4.95 120.51 112.37 2jkd n ALA 175 Ca 0.06 0.13 -0.16 0.00 0.00 0.00 0.00 53.44 53.48 2jkd n ALA 175 Cb 0.55 -1.29 -0.15 0.00 0.00 0.00 0.00 19.45 18.56 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 -2.42 0.34 -0.01 0.00 3.52 -1.26 -5.05 118.95 114.08 2jkd s ARG 176 Ca 0.00 -0.08 -0.30 0.00 -0.13 0.00 0.00 55.73 55.22 2jkd s ARG 176 Cb 0.00 -0.37 -0.05 0.00 -1.56 0.00 0.00 34.95 32.97 2jkd s ARG 176 CO 0.00 0.02 1.31 0.71 -0.81 0.00 0.00 175.30 176.53 2jkd s TYR 177 N 0.24 3.04 -0.17 5.12 2.02 -1.26 -4.41 117.35 121.93 2jkd s TYR 177 Ca -0.02 1.00 -0.00 0.00 -0.37 0.00 0.00 57.07 57.68 2jkd s TYR 177 Cb -0.05 -3.56 -0.00 0.00 -0.40 0.00 0.00 41.96 37.95 2jkd s TYR 177 CO -0.00 -1.95 -0.14 0.42 -1.57 0.00 0.00 175.55 172.31 2jkd s ILE 178 N 2.15 2.76 0.31 2.71 -1.09 -0.16 -4.94 121.20 122.95 2jkd s ILE 178 Ca 0.61 -0.73 -0.29 0.00 -2.23 0.00 0.00 60.65 58.00 2jkd s ILE 178 Cb -0.29 -2.18 -0.11 0.00 -1.58 0.00 0.00 42.46 38.30 2jkd s ILE 178 CO 0.25 0.50 1.54 -0.70 -1.23 0.00 0.00 174.94 175.30 2jkd s GLU 179 N 0.93 4.14 -0.02 2.79 2.12 -1.26 -0.96 118.70 126.44 2jkd s GLU 179 Ca -0.03 2.53 -0.03 0.00 0.36 0.00 0.00 54.97 57.81 2jkd s GLU 179 Cb -0.15 -3.02 -0.04 0.00 0.26 0.00 0.00 34.13 31.18 2jkd s GLU 179 CO -0.01 -0.57 0.15 -0.51 -0.54 0.00 0.00 175.26 173.78 2jkd s LEU 180 N -0.96 4.23 0.07 2.70 1.43 0.44 -4.86 118.68 121.74 2jkd s LEU 180 Ca 0.59 0.30 0.07 0.00 -1.03 0.00 0.00 54.13 54.07 2jkd s LEU 180 Cb -0.46 -2.43 -0.03 0.00 0.03 0.00 0.00 46.19 43.29 2jkd s LEU 180 CO 0.52 0.29 -0.18 -0.60 0.23 0.00 0.00 176.35 176.60 2jkd s ARG 181 N -1.74 1.05 0.20 1.70 3.52 -1.26 -4.57 118.95 117.85 2jkd s ARG 181 Ca 0.24 -1.00 -0.32 0.00 -0.13 0.00 0.00 55.73 54.51 2jkd s ARG 181 Cb -0.12 -1.18 -0.14 0.00 -1.56 0.00 0.00 34.95 31.95 2jkd s ARG 181 CO 0.15 0.28 1.36 0.45 -0.81 0.00 0.00 175.30 176.73 2jkd n SER 182 N 1.39 2.33 0.00 -2.12 2.88 -1.26 -1.13 113.62 115.70 2jkd n SER 182 Ca -0.19 1.13 0.00 0.00 -1.33 0.00 0.00 58.87 58.48 2jkd n SER 182 Cb 0.54 -1.35 0.00 0.00 -0.75 0.00 0.00 64.21 62.65 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 2.30 1.47 3.78 0.46 0.00 0.64 -4.95 105.19 108.89 2jkd n GLY 183 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 2jkd n GLY 183 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2jkd s ASP 184 N -1.94 6.40 -0.23 1.61 1.01 -0.29 -4.77 116.67 118.47 2jkd s ASP 184 Ca 0.00 2.94 -0.03 0.00 0.71 0.00 0.00 52.55 56.17 2jkd s ASP 184 Cb 0.00 -2.66 0.01 0.00 1.01 0.00 0.00 42.92 41.28 2jkd s ASP 184 CO 0.00 -0.82 -0.06 -0.69 0.21 0.00 0.00 175.17 173.82 2jkd s VAL 185 N -1.14 3.12 -0.13 -1.27 1.01 -1.26 -0.94 120.40 119.79 2jkd s VAL 185 Ca 0.53 -0.73 -0.07 0.00 0.00 0.00 0.00 61.98 61.70 2jkd s VAL 185 Cb -0.44 -2.48 -0.04 0.00 0.00 0.00 0.00 36.38 33.42 2jkd s VAL 185 CO 0.60 0.33 0.14 -0.76 0.00 0.00 0.00 175.10 175.41 2jkd s LEU 186 N 1.41 4.37 0.06 3.92 1.43 0.16 0.27 118.68 130.30 2jkd s LEU 186 Ca 0.04 0.45 0.05 0.00 -1.03 0.00 0.00 54.13 53.63 2jkd s LEU 186 Cb -0.15 -2.07 -0.03 0.00 0.03 0.00 0.00 46.19 43.97 2jkd s LEU 186 CO -0.04 0.39 -0.14 0.42 0.23 0.00 0.00 176.35 177.21 2jkd s THR 187 N -0.91 1.09 -0.44 5.49 -4.23 -0.58 -0.69 115.64 115.38 2jkd s THR 187 Ca 0.14 -1.20 0.02 0.00 -1.18 0.00 0.00 61.69 59.47 2jkd s THR 187 Cb -0.12 -1.04 0.49 0.00 1.34 0.00 0.00 72.50 73.18 2jkd s THR 187 CO 0.03 -0.15 1.86 0.18 -0.54 0.00 0.00 174.62 176.00 2jkd n LEU 188 N 1.49 6.54 -3.65 4.79 4.77 -1.26 -1.63 117.00 128.05 2jkd n LEU 188 Ca -0.20 -3.51 -0.10 0.00 -0.03 0.00 0.00 56.01 52.17 2jkd n LEU 188 Cb 0.54 -0.86 -0.04 0.00 -2.33 0.00 0.00 43.42 40.73 2jkd n LEU 188 CO 0.22 1.11 0.24 -0.55 -1.33 0.00 0.00 177.39 177.07 2jkd s SER 189 N -1.00 -0.29 0.23 -1.43 0.15 -0.71 -4.30 113.70 106.35 2jkd s SER 189 Ca 0.50 -0.34 0.10 0.00 0.70 0.00 0.00 55.95 56.90 2jkd s SER 189 Cb 0.41 0.53 0.17 0.00 -1.71 0.00 0.00 66.02 65.42 2jkd s SER 189 CO 0.06 -0.95 1.50 -0.08 1.20 0.00 0.00 173.24 174.96 2jkd h GLU 190 N 2.25 0.00 -6.35 5.44 4.81 -1.41 -3.31 114.58 116.02 2jkd h GLU 190 Ca -0.32 0.00 -0.69 0.00 -0.13 0.00 0.00 59.36 58.22 2jkd h GLU 190 Cb 1.27 0.00 -0.23 0.00 0.63 0.00 0.00 28.75 30.42 2jkd h GLU 190 CO 0.42 0.72 -0.77 -0.06 -0.73 0.00 0.00 179.01 178.59 2jkd s PHE 191 N -3.25 2.70 0.16 0.92 0.08 -1.26 -4.76 117.98 112.57 2jkd s PHE 191 Ca -0.00 -0.16 -0.16 0.00 0.12 0.00 0.00 56.93 56.74 2jkd s PHE 191 Cb 0.11 -1.61 0.08 0.00 -0.57 0.00 0.00 43.02 41.03 2jkd s PHE 191 CO 0.77 0.20 1.75 0.93 -0.10 0.00 0.00 175.22 178.78 2jkd h GLU 192 N 5.22 0.28 -0.10 0.44 5.08 -1.96 -2.96 114.58 120.58 2jkd h GLU 192 Ca -0.47 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 57.91 2jkd h GLU 192 Cb 1.15 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.34 2jkd h GLU 192 CO 0.50 0.19 0.39 1.49 -1.00 0.00 0.00 179.01 180.58 2jkd h GLU 193 N 0.29 0.00 0.00 2.33 4.81 -2.00 0.15 114.58 120.17 2jkd h GLU 193 Ca 0.18 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 2jkd h GLU 193 Cb 0.16 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.54 2jkd h GLU 193 CO -0.18 0.00 -0.69 -0.25 -0.73 0.00 0.00 179.01 177.16 2jkd n ASP 194 N -3.07 0.61 -4.68 1.04 8.00 -1.12 -4.91 116.55 112.42 2jkd n ASP 194 Ca 0.00 -0.14 -0.38 0.00 0.71 0.00 0.00 54.79 54.99 2jkd n ASP 194 Cb 0.46 0.38 -0.08 0.00 -0.02 0.00 0.00 41.12 41.87 2jkd n ASP 194 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 2jkd s ASN 195 N -3.63 6.41 -0.02 -2.24 0.01 0.53 -4.74 114.94 111.26 2jkd s ASN 195 Ca 0.07 0.47 0.15 0.00 -0.71 0.00 0.00 52.86 52.85 2jkd s ASN 195 Cb 0.15 -2.21 -0.23 0.00 0.41 0.00 0.00 41.25 39.38 2jkd s ASN 195 CO 0.74 -0.02 0.36 0.47 -1.51 0.00 0.00 177.10 177.13 2jkd n ASP 196 N 4.26 1.46 -4.35 -1.22 8.00 -1.26 -4.90 116.55 118.53 2jkd n ASP 196 Ca -0.10 -0.08 -0.23 0.00 0.71 0.00 0.00 54.79 55.10 2jkd n ASP 196 Cb 0.51 1.63 -0.11 0.00 -0.02 0.00 0.00 41.12 43.13 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 -2.99 1.93 -0.09 1.24 2.02 -1.26 0.59 117.35 118.79 2jkd s TYR 197 Ca -0.05 -0.44 0.02 0.00 -0.37 0.00 0.00 57.07 56.24 2jkd s TYR 197 Cb 0.10 -0.96 0.01 0.00 -0.40 0.00 0.00 41.96 40.71 2jkd s TYR 197 CO 0.63 0.37 -0.16 -1.21 -1.57 0.00 0.00 175.55 173.60 2jkd s GLU 198 N -2.74 2.22 -0.40 -0.62 2.02 -0.29 -4.69 118.70 114.21 2jkd s GLU 198 Ca 0.17 -0.58 -0.06 0.00 0.02 0.00 0.00 54.97 54.51 2jkd s GLU 198 Cb -0.06 -1.81 0.08 0.00 0.10 0.00 0.00 34.13 32.44 2jkd s GLU 198 CO 0.07 0.03 0.20 -0.51 0.02 0.00 0.00 175.26 175.07 2jkd s LEU 199 N 0.71 4.97 -0.36 1.80 1.02 0.13 -0.99 118.68 125.97 2jkd s LEU 199 Ca -0.12 -1.59 -0.12 0.00 0.02 0.00 0.00 54.13 52.32 2jkd s LEU 199 Cb -0.16 -1.91 0.01 0.00 0.02 0.00 0.00 46.19 44.15 2jkd s LEU 199 CO 0.03 -0.49 0.22 -0.63 0.02 0.00 0.00 176.35 175.49 2jkd s ILE 200 N 1.33 4.88 0.03 -0.59 1.01 0.86 0.38 121.20 129.09 2jkd s ILE 200 Ca 0.03 -0.55 -0.30 0.00 0.00 0.00 0.00 60.65 59.82 2jkd s ILE 200 Cb -0.22 -3.61 -0.05 0.00 0.01 0.00 0.00 42.46 38.58 2jkd s ILE 200 CO 0.00 -0.12 1.24 0.12 0.00 0.00 0.00 174.94 176.18 2jkd s PHE 201 N 1.63 3.28 0.00 3.97 2.19 -0.12 -0.23 117.98 128.71 2jkd s PHE 201 Ca 0.04 1.19 0.02 0.00 0.33 0.00 0.00 56.93 58.51 2jkd s PHE 201 Cb -0.18 -3.47 -0.01 0.00 -1.31 0.00 0.00 43.02 38.05 2jkd s PHE 201 CO 0.08 -1.53 -0.07 -1.64 1.83 0.00 0.00 175.22 173.90 2jkd s MET 202 N 1.55 0.51 0.22 10.12 -1.94 -0.33 -0.26 119.30 129.18 2jkd s MET 202 Ca 0.59 -0.32 -0.15 0.00 -1.71 0.00 0.00 55.69 54.10 2jkd s MET 202 Cb -0.29 -0.46 -0.08 0.00 2.01 0.00 0.00 34.83 36.02 2jkd s MET 202 CO 0.27 0.12 0.64 -0.80 -0.01 0.00 0.00 175.02 175.24 2jkd s ASN 203 N -0.41 6.84 -0.05 3.03 0.01 -1.26 -1.83 114.94 121.27 2jkd s ASN 203 Ca 0.00 1.18 0.02 0.00 -0.71 0.00 0.00 52.86 53.35 2jkd s ASN 203 Cb -0.04 -2.33 0.02 0.00 0.41 0.00 0.00 41.25 39.31 2jkd s ASN 203 CO -0.00 -0.02 -0.08 -0.69 -1.51 0.00 0.00 177.10 174.80 2jkd s VAL 204 N -1.66 0.78 0.00 1.60 1.01 0.24 -4.95 120.40 117.43 2jkd s VAL 204 Ca 0.45 -0.29 0.00 0.00 0.00 0.00 0.00 61.98 62.14 2jkd s VAL 204 Cb -0.14 -0.75 0.00 0.00 0.00 0.00 0.00 36.38 35.50 2jkd s VAL 204 CO 0.20 0.27 0.00 1.41 0.00 0.00 0.00 175.10 176.98 2jkd n HIS 205 N 3.83 -0.03 -4.09 5.22 8.25 -1.26 -1.11 115.22 126.03 2jkd n HIS 205 Ca -0.23 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 56.89 2jkd n HIS 205 Cb 0.52 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.57 2jkd n HIS 205 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2jkd n HIS 206 N -0.01 -1.44 0.00 4.41 8.25 -1.26 -4.99 115.22 120.18 2jkd n HIS 206 Ca 0.00 0.59 0.00 0.00 -0.26 0.00 0.00 57.72 58.05 2jkd n HIS 206 Cb 0.00 -2.00 0.00 0.00 1.12 0.00 0.00 29.99 29.11 2jkd n HIS 206 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56