#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jkd s VAL 2 N 0.00 4.27 0.51 3.15 1.01 -1.26 -1.49 120.40 126.59 1jkd s VAL 2 Ca 0.00 -1.13 -0.22 0.00 0.00 0.00 0.00 61.98 60.63 1jkd s VAL 2 Cb 0.00 -3.48 -0.06 0.00 0.00 0.00 0.00 36.38 32.83 1jkd s VAL 2 CO 0.00 -0.33 1.20 -0.36 0.00 0.00 0.00 175.10 175.61 1jkd s PHE 3 N 1.47 2.66 0.26 5.22 0.40 -0.28 -5.01 117.98 122.70 1jkd s PHE 3 Ca 0.02 1.50 -0.14 0.00 -0.60 0.00 0.00 56.93 57.70 1jkd s PHE 3 Cb -0.21 -3.46 -0.08 0.00 0.51 0.00 0.00 43.02 39.78 1jkd s PHE 3 CO 0.04 -1.89 0.66 -1.21 0.70 0.00 0.00 175.22 173.52 1jkd s GLU 4 N -2.91 4.00 0.12 0.44 2.02 -1.26 -4.86 118.70 116.24 1jkd s GLU 4 Ca 0.68 0.58 -0.27 0.00 0.02 0.00 0.00 54.97 55.99 1jkd s GLU 4 Cb -0.30 -2.64 -0.08 0.00 0.10 0.00 0.00 34.13 31.21 1jkd s GLU 4 CO 0.36 0.29 1.46 -0.09 0.02 0.00 0.00 175.26 177.30 1jkd h ARG 5 N 2.73 -0.15 -0.02 1.61 2.43 -1.96 -0.15 114.38 118.87 1jkd h ARG 5 Ca -0.48 0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 58.60 1jkd h ARG 5 Cb 1.18 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.75 1jkd h ARG 5 CO 0.66 -0.10 -0.46 0.00 -1.51 0.00 0.00 179.97 178.56 1jkd h GLU 7 N 0.03 0.58 -0.46 0.00 4.81 -1.76 -0.94 114.58 116.85 1jkd h GLU 7 Ca -0.00 -0.08 -0.07 0.00 -0.13 0.00 0.00 59.36 59.08 1jkd h GLU 7 Cb 0.83 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.08 1jkd h GLU 7 CO 0.06 0.49 0.03 1.25 -0.73 0.00 0.00 179.01 180.11 1jkd h LEU 8 N 0.53 0.78 -0.49 1.64 5.85 -0.79 -1.68 115.31 121.15 1jkd h LEU 8 Ca 0.14 -0.29 0.06 0.00 0.84 0.00 0.00 57.88 58.64 1jkd h LEU 8 Cb 0.09 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 40.86 1jkd h LEU 8 CO -0.02 0.87 0.18 0.00 -0.34 0.00 0.00 178.44 179.13 1jkd h ALA 9 N 0.93 0.60 -0.31 1.25 0.00 -0.84 0.58 119.26 121.46 1jkd h ALA 9 Ca 0.13 0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.97 1jkd h ALA 9 Cb 0.46 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1jkd h ALA 9 CO 0.02 -0.21 -0.34 0.00 0.00 0.00 0.00 179.25 178.72 1jkd h ARG 10 N 0.36 0.69 -0.18 0.00 3.08 -1.10 -1.72 114.38 115.52 1jkd h ARG 10 Ca 0.23 -0.33 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 1jkd h ARG 10 Cb 0.23 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 1jkd h ARG 10 CO -0.23 0.93 0.08 1.15 -1.07 0.00 0.00 179.97 180.84 1jkd h THR 11 N 0.58 1.13 -0.67 2.04 2.02 -0.58 -0.90 112.91 116.53 1jkd h THR 11 Ca 0.06 -0.38 -0.02 0.00 0.77 0.00 0.00 66.41 66.84 1jkd h THR 11 Cb 0.86 1.06 -0.03 0.00 -1.74 0.00 0.00 68.15 68.30 1jkd h THR 11 CO 0.07 0.13 0.35 -0.07 0.37 0.00 0.00 175.52 176.37 1jkd h LEU 12 N 0.16 0.84 -0.19 2.58 3.38 -0.78 -2.23 115.31 119.07 1jkd h LEU 12 Ca 0.06 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1jkd h LEU 12 Cb 0.12 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1jkd h LEU 12 CO -0.01 0.69 0.08 0.50 0.09 0.00 0.00 178.44 179.79 1jkd h LYS 13 N 0.94 0.28 -0.23 1.13 3.64 -0.90 -2.43 116.57 119.00 1jkd h LYS 13 Ca 0.24 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.58 1jkd h LYS 13 Cb 0.05 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1jkd h LYS 13 CO -0.04 0.35 0.16 0.00 -2.27 0.00 0.00 179.45 177.65 1jkd h ARG 14 N 0.15 0.26 -0.25 1.90 3.08 -0.74 -1.56 114.38 117.22 1jkd h ARG 14 Ca 0.06 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1jkd h ARG 14 Cb 0.17 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.16 1jkd h ARG 14 CO -0.01 0.17 0.00 1.28 -1.07 0.00 0.00 179.97 180.35 1jkd n LEU 15 N -4.50 0.87 -1.20 3.04 4.77 -0.88 -4.92 117.00 114.18 1jkd n LEU 15 Ca 0.01 -0.44 -0.09 0.00 -0.03 0.00 0.00 56.01 55.46 1jkd n LEU 15 Cb 0.11 -0.15 0.01 0.00 -2.33 0.00 0.00 43.42 41.05 1jkd n LEU 15 CO 0.35 0.20 -0.05 0.61 -1.33 0.00 0.00 177.39 177.16 1jkd n GLY 16 N 0.62 0.10 0.11 -0.72 0.00 -0.59 -4.96 105.19 99.74 1jkd n GLY 16 Ca 0.04 -0.46 0.05 0.00 0.00 0.00 0.00 46.02 45.65 1jkd n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1jkd h MET 17 N -0.30 0.00 -6.18 1.61 2.86 -1.61 -3.41 114.93 107.90 1jkd h MET 17 Ca -0.21 0.00 -0.58 0.00 -2.06 0.00 0.00 59.70 56.84 1jkd h MET 17 Cb 1.15 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.79 1jkd h MET 17 CO 0.24 0.17 1.34 0.34 1.06 0.00 0.00 176.91 180.06 1jkd s ASP 18 N -5.64 5.77 0.00 1.22 2.15 -1.26 -1.58 116.67 117.32 1jkd s ASP 18 Ca -0.01 1.51 0.00 0.00 0.43 0.00 0.00 52.55 54.48 1jkd s ASP 18 Cb 0.09 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.19 1jkd s ASP 18 CO 0.80 -1.77 0.00 0.61 -0.17 0.00 0.00 175.17 174.63 1jkd n GLY 19 N 5.51 0.71 3.65 2.66 0.00 -0.17 -4.91 105.19 112.64 1jkd n GLY 19 Ca 0.25 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.83 1jkd n GLY 19 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1jkd n TYR 20 N -2.51 2.37 -3.07 1.61 9.36 -0.62 -0.91 117.16 123.39 1jkd n TYR 20 Ca 0.00 -0.25 -0.22 0.00 3.32 0.00 0.00 57.90 60.75 1jkd n TYR 20 Cb 0.00 -2.76 0.01 0.00 -0.63 0.00 0.00 39.34 35.96 1jkd n TYR 20 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1jkd n ARG 21 N 7.56 -3.94 -1.01 2.98 5.12 -1.26 -1.17 116.66 124.93 1jkd n ARG 21 Ca 0.23 0.72 -0.00 0.00 -1.93 0.00 0.00 57.85 56.86 1jkd n ARG 21 Cb 0.39 -5.49 -0.00 0.00 -1.16 0.00 0.00 32.46 26.19 1jkd n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1jkd n GLY 22 N -1.30 0.47 3.43 -0.13 0.00 -0.09 -5.02 105.19 102.54 1jkd n GLY 22 Ca -0.09 -0.29 -0.40 0.00 0.00 0.00 0.00 46.02 45.24 1jkd n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jkd s ILE 23 N -1.97 4.78 0.95 -0.61 1.01 -0.32 -4.89 121.20 120.14 1jkd s ILE 23 Ca 0.00 -0.62 -0.10 0.00 0.00 0.00 0.00 60.65 59.93 1jkd s ILE 23 Cb 0.00 -3.57 0.16 0.00 0.01 0.00 0.00 42.46 39.07 1jkd s ILE 23 CO 0.00 -0.13 1.12 -0.94 0.00 0.00 0.00 174.94 175.00 1jkd s SER 24 N 1.61 2.67 0.24 3.58 1.04 -1.26 -1.00 113.70 120.58 1jkd s SER 24 Ca 0.04 2.06 -0.07 0.00 0.48 0.00 0.00 55.95 58.46 1jkd s SER 24 Cb -0.18 -2.52 0.23 0.00 0.10 0.00 0.00 66.02 63.64 1jkd s SER 24 CO 0.08 -3.24 1.89 0.25 0.98 0.00 0.00 173.24 173.19 1jkd h LEU 25 N -1.96 1.14 -1.10 2.42 5.85 -1.91 -2.62 115.31 117.13 1jkd h LEU 25 Ca -0.46 -0.07 0.07 0.00 0.84 0.00 0.00 57.88 58.26 1jkd h LEU 25 Cb 1.28 -0.29 -0.06 0.00 0.37 0.00 0.00 40.66 41.96 1jkd h LEU 25 CO 0.43 0.88 0.61 0.00 -0.34 0.00 0.00 178.44 180.02 1jkd h ALA 26 N 1.31 1.48 -0.48 1.25 0.00 -1.91 -0.11 119.26 120.80 1jkd h ALA 26 Ca 0.34 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 55.12 1jkd h ALA 26 Cb -0.05 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 1jkd h ALA 26 CO -0.06 0.37 -0.14 -0.91 0.00 0.00 0.00 179.25 178.51 1jkd h ASN 27 N 1.07 0.91 -0.52 0.00 2.35 -1.77 -0.89 115.58 116.73 1jkd h ASN 27 Ca 0.41 -0.30 -0.10 0.00 -0.55 0.00 0.00 56.30 55.76 1jkd h ASN 27 Cb 0.21 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.32 1jkd h ASN 27 CO -0.16 1.05 -0.06 -0.50 -1.65 0.00 0.00 177.43 176.11 1jkd h TRP 28 N 0.81 1.06 -0.24 1.19 4.06 -1.13 -1.82 115.95 119.88 1jkd h TRP 28 Ca 0.12 -0.21 -0.01 0.00 2.06 0.00 0.00 58.89 60.85 1jkd h TRP 28 Cb 0.68 -0.27 -0.01 0.00 -1.00 0.00 0.00 29.16 28.56 1jkd h TRP 28 CO 0.04 0.99 0.09 0.52 -3.56 0.00 0.00 178.44 176.53 1jkd h MET 29 N 0.83 0.35 -0.94 0.49 2.86 -0.94 -0.49 114.93 117.09 1jkd h MET 29 Ca 0.14 -0.06 0.04 0.00 -2.06 0.00 0.00 59.70 57.76 1jkd h MET 29 Cb 0.61 -0.06 -0.06 0.00 0.06 0.00 0.00 31.60 32.15 1jkd h MET 29 CO 0.04 0.40 0.61 0.00 1.06 0.00 0.00 176.91 179.02 1jkd h LEU 31 N 1.16 -0.18 -1.05 0.00 5.85 -0.92 -2.48 115.31 117.69 1jkd h LEU 31 Ca 0.38 -0.16 0.04 0.00 0.84 0.00 0.00 57.88 58.99 1jkd h LEU 31 Cb 0.04 0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.06 1jkd h LEU 31 CO -0.13 0.06 0.64 0.00 -0.34 0.00 0.00 178.44 178.66 1jkd h ALA 32 N 0.39 1.39 -0.12 1.25 0.00 -0.81 -0.06 119.26 121.30 1jkd h ALA 32 Ca -0.02 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1jkd h ALA 32 Cb 0.33 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1jkd h ALA 32 CO 0.04 0.50 0.06 -0.22 0.00 0.00 0.00 179.25 179.63 1jkd h LYS 33 N 1.20 0.17 0.00 0.00 3.64 -1.14 -1.02 116.57 119.42 1jkd h LYS 33 Ca 0.39 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.75 1jkd h LYS 33 Cb 0.05 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 1jkd h LYS 33 CO -0.13 0.22 0.00 -1.49 -2.27 0.00 0.00 179.45 175.78 1jkd h TRP 34 N 0.07 0.00 0.07 1.91 4.06 -1.24 -0.78 115.95 120.05 1jkd h TRP 34 Ca 0.04 0.00 -0.11 0.00 2.06 0.00 0.00 58.89 60.88 1jkd h TRP 34 Cb 0.11 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 28.27 1jkd h TRP 34 CO -0.03 0.00 -0.51 0.93 -3.56 0.00 0.00 178.44 175.26 1jkd h GLU 35 N 0.00 0.15 0.00 0.49 4.39 -0.87 -3.44 114.58 115.30 1jkd h GLU 35 Ca 0.00 -0.26 0.00 0.00 0.34 0.00 0.00 59.36 59.44 1jkd h GLU 35 Cb 0.96 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.71 1jkd h GLU 35 CO 0.00 1.13 0.00 -1.13 -1.16 0.00 0.00 179.01 177.85 1jkd n SER 36 N -4.34 0.08 -0.40 1.42 3.41 -0.40 -4.85 113.62 108.54 1jkd n SER 36 Ca -0.14 -0.38 -0.04 0.00 -0.26 0.00 0.00 58.87 58.05 1jkd n SER 36 Cb 0.67 0.21 -0.01 0.00 -0.26 0.00 0.00 64.21 64.83 1jkd n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jkd n GLY 37 N 0.21 0.45 2.42 5.00 0.00 -0.30 -2.94 105.19 110.03 1jkd n GLY 37 Ca 0.00 -0.79 -0.13 0.00 0.00 0.00 0.00 46.02 45.10 1jkd n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1jkd n TYR 38 N -3.45 -1.00 -3.81 1.61 4.01 -1.22 -4.80 117.16 108.50 1jkd n TYR 38 Ca -0.05 0.22 -0.36 0.00 -0.16 0.00 0.00 57.90 57.54 1jkd n TYR 38 Cb 0.34 -3.01 -0.13 0.00 -0.31 0.00 0.00 39.34 36.23 1jkd n TYR 38 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1jkd s ASN 39 N -2.70 4.91 0.57 7.72 2.47 -1.15 -1.13 114.94 125.63 1jkd s ASN 39 Ca 0.12 -0.75 0.35 0.00 0.42 0.00 0.00 52.86 53.01 1jkd s ASN 39 Cb -0.05 -1.82 1.54 0.00 -1.45 0.00 0.00 41.25 39.46 1jkd s ASN 39 CO 0.15 -0.17 2.05 0.71 -3.72 0.00 0.00 177.10 176.12 1jkd h THR 40 N 5.94 0.03 -0.01 -5.21 1.35 -1.59 -3.09 112.91 110.33 1jkd h THR 40 Ca -0.32 -0.44 0.00 0.00 -0.55 0.00 0.00 66.41 65.10 1jkd h THR 40 Cb 1.12 1.43 0.00 0.00 -1.73 0.00 0.00 68.15 68.97 1jkd h THR 40 CO 0.59 0.01 -0.19 0.54 -0.25 0.00 0.00 175.52 176.22 1jkd n ARG 41 N -3.11 1.01 -1.76 4.72 5.12 -1.26 -4.08 116.66 117.31 1jkd n ARG 41 Ca -0.00 -0.58 -0.41 0.00 -1.93 0.00 0.00 57.85 54.93 1jkd n ARG 41 Cb 0.27 -1.49 -0.01 0.00 -1.16 0.00 0.00 32.46 30.07 1jkd n ARG 41 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1jkd s ALA 42 N -2.39 3.72 -0.01 7.54 0.00 -1.17 -4.80 121.76 124.64 1jkd s ALA 42 Ca 0.28 1.60 -0.07 0.00 0.00 0.00 0.00 51.96 53.76 1jkd s ALA 42 Cb 0.20 -3.65 0.01 0.00 0.00 0.00 0.00 23.12 19.67 1jkd s ALA 42 CO 0.47 -1.03 0.15 0.95 0.00 0.00 0.00 175.76 176.31 1jkd s THR 43 N -0.26 0.06 -0.09 0.00 -4.23 -1.26 -0.36 115.64 109.50 1jkd s THR 43 Ca 0.61 -0.53 -0.03 0.00 -1.18 0.00 0.00 61.69 60.56 1jkd s THR 43 Cb -0.48 -0.40 0.05 0.00 1.34 0.00 0.00 72.50 73.01 1jkd s THR 43 CO 0.52 -0.29 0.11 0.21 -0.54 0.00 0.00 174.62 174.63 1jkd s ASN 44 N -1.05 1.29 -0.04 3.99 2.47 -0.58 -4.95 114.94 116.07 1jkd s ASN 44 Ca -0.11 -0.01 -0.23 0.00 0.42 0.00 0.00 52.86 52.92 1jkd s ASN 44 Cb -0.06 -0.00 -0.04 0.00 -1.45 0.00 0.00 41.25 39.70 1jkd s ASN 44 CO 0.01 -0.27 0.69 -0.47 -3.72 0.00 0.00 177.10 173.34 1jkd s TYR 45 N 2.21 3.62 -0.68 0.43 5.04 -1.26 -0.90 117.35 125.81 1jkd s TYR 45 Ca 0.04 1.28 -0.12 0.00 -2.44 0.00 0.00 57.07 55.83 1jkd s TYR 45 Cb -0.13 -2.78 0.18 0.00 0.35 0.00 0.00 41.96 39.58 1jkd s TYR 45 CO -0.06 0.16 0.59 -0.80 -1.34 0.00 0.00 175.55 174.10 1jkd s ASN 46 N 0.50 6.21 0.38 4.32 0.01 0.33 -4.93 114.94 121.77 1jkd s ASN 46 Ca 0.37 -2.43 0.11 0.00 -0.71 0.00 0.00 52.86 50.19 1jkd s ASN 46 Cb -0.18 -2.11 0.90 0.00 0.41 0.00 0.00 41.25 40.26 1jkd s ASN 46 CO 0.19 -0.61 1.90 0.00 -1.51 0.00 0.00 177.10 177.07 1jkd h ALA 47 N 7.95 1.93 -0.91 0.60 0.00 -1.95 -1.04 119.26 125.84 1jkd h ALA 47 Ca -0.04 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1jkd h ALA 47 Cb 1.04 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 1jkd h ALA 47 CO 0.82 -0.14 0.56 0.78 0.00 0.00 0.00 179.25 181.26 1jkd h GLY 48 N 0.59 1.32 -0.32 0.00 0.00 -1.95 -3.28 103.07 99.43 1jkd h GLY 48 Ca 0.40 -0.54 0.00 0.00 0.00 0.00 0.00 47.33 47.19 1jkd h GLY 48 CO -0.16 0.53 0.00 2.09 0.00 0.00 0.00 176.54 179.00 1jkd n ASP 49 N -4.39 2.17 -1.46 0.19 5.68 -1.07 -5.01 116.55 112.66 1jkd n ASP 49 Ca 0.10 -1.94 -0.16 0.00 -0.50 0.00 0.00 54.79 52.29 1jkd n ASP 49 Cb 0.05 -0.06 -0.04 0.00 -1.14 0.00 0.00 41.12 39.93 1jkd n ASP 49 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1jkd n ARG 50 N -0.21 -1.17 -3.93 0.11 1.74 -0.42 -4.78 116.66 108.01 1jkd n ARG 50 Ca 0.03 0.93 -0.23 0.00 -0.77 0.00 0.00 57.85 57.81 1jkd n ARG 50 Cb 0.28 -5.19 -0.06 0.00 -1.02 0.00 0.00 32.46 26.47 1jkd n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1jkd s SER 51 N -2.60 4.65 -0.00 0.55 1.04 -1.20 -4.50 113.70 111.64 1jkd s SER 51 Ca 0.00 -0.96 0.01 0.00 0.48 0.00 0.00 55.95 55.48 1jkd s SER 51 Cb 0.00 -0.51 -0.00 0.00 0.10 0.00 0.00 66.02 65.60 1jkd s SER 51 CO 0.00 -0.58 -0.03 -0.89 0.98 0.00 0.00 173.24 172.72 1jkd s THR 52 N -2.55 0.25 -0.14 2.02 2.01 -1.26 -0.52 115.64 115.45 1jkd s THR 52 Ca 0.44 -0.15 -0.13 0.00 0.31 0.00 0.00 61.69 62.16 1jkd s THR 52 Cb 0.01 -0.22 -0.05 0.00 0.01 0.00 0.00 72.50 72.26 1jkd s THR 52 CO 0.24 0.06 0.27 -1.81 -0.69 0.00 0.00 174.62 172.70 1jkd s ASP 53 N -0.10 6.45 -0.03 3.53 1.01 -0.08 -0.74 116.67 126.72 1jkd s ASP 53 Ca 0.01 0.53 0.07 0.00 0.71 0.00 0.00 52.55 53.87 1jkd s ASP 53 Cb -0.01 -2.17 -0.02 0.00 1.01 0.00 0.00 42.92 41.73 1jkd s ASP 53 CO -0.00 0.17 -0.24 -0.31 0.21 0.00 0.00 175.17 175.01 1jkd s TYR 54 N 0.08 2.18 0.00 4.23 2.02 0.98 -1.53 117.35 125.31 1jkd s TYR 54 Ca 0.16 -0.48 0.00 0.00 -0.37 0.00 0.00 57.07 56.38 1jkd s TYR 54 Cb -0.13 -1.41 0.00 0.00 -0.40 0.00 0.00 41.96 40.02 1jkd s TYR 54 CO 0.04 -0.08 0.00 0.41 -1.57 0.00 0.00 175.55 174.35 1jkd n GLY 55 N 2.63 -1.71 0.39 0.71 0.00 0.51 -1.54 105.19 106.18 1jkd n GLY 55 Ca -0.16 -1.29 0.19 0.00 0.00 0.00 0.00 46.02 44.76 1jkd n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1jkd h ILE 56 N 0.00 0.74 -0.14 -0.61 2.10 -1.71 -0.35 117.51 117.54 1jkd h ILE 56 Ca 0.00 -0.06 0.00 0.00 1.08 0.00 0.00 64.86 65.88 1jkd h ILE 56 Cb 0.00 0.56 0.00 0.00 -1.09 0.00 0.00 36.82 36.29 1jkd h ILE 56 CO 0.00 0.03 0.00 0.49 -1.08 0.00 0.00 178.15 177.59 1jkd n PHE 57 N -4.41 0.17 -3.76 2.19 3.72 -1.26 -3.96 117.46 110.14 1jkd n PHE 57 Ca 0.13 -0.11 -0.32 0.00 -0.05 0.00 0.00 57.45 57.10 1jkd n PHE 57 Cb 0.62 -0.00 0.03 0.00 -0.94 0.00 0.00 39.48 39.19 1jkd n PHE 57 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1jkd n GLN 58 N 1.05 -1.54 -2.65 -1.08 1.13 -0.14 -4.93 117.38 109.22 1jkd n GLN 58 Ca 0.12 0.42 -0.41 0.00 -1.94 0.00 0.00 57.00 55.20 1jkd n GLN 58 Cb 0.47 -4.07 -0.05 0.00 0.11 0.00 0.00 30.24 26.71 1jkd n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1jkd s ILE 59 N -3.55 4.05 0.16 5.09 1.01 -0.59 -4.42 121.20 122.94 1jkd s ILE 59 Ca 0.39 1.90 -0.25 0.00 0.00 0.00 0.00 60.65 62.69 1jkd s ILE 59 Cb -0.15 -4.21 -0.08 0.00 0.01 0.00 0.00 42.46 38.03 1jkd s ILE 59 CO 0.87 0.39 0.77 0.21 0.00 0.00 0.00 174.94 177.18 1jkd s ASN 60 N -0.62 7.36 0.00 3.58 3.84 -1.26 -0.01 114.94 127.83 1jkd s ASN 60 Ca 0.45 1.62 0.23 0.00 0.21 0.00 0.00 52.86 55.37 1jkd s ASN 60 Cb -0.27 -2.49 1.05 0.00 -0.55 0.00 0.00 41.25 38.99 1jkd s ASN 60 CO 0.33 0.21 1.73 -1.54 -2.79 0.00 0.00 177.10 175.04 1jkd n SER 61 N 1.56 0.00 0.07 -4.21 3.41 0.08 -2.49 113.62 112.04 1jkd n SER 61 Ca -0.06 0.27 -0.21 0.00 -0.26 0.00 0.00 58.87 58.61 1jkd n SER 61 Cb 0.49 -0.41 -0.14 0.00 -0.26 0.00 0.00 64.21 63.89 1jkd n SER 61 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1jkd h ARG 62 N 0.00 0.44 0.00 4.33 2.43 -1.85 -3.42 114.38 116.32 1jkd h ARG 62 Ca 0.00 -0.65 -0.20 0.00 -0.81 0.00 0.00 59.98 58.32 1jkd h ARG 62 Cb 0.31 0.23 -0.04 0.00 -0.42 0.00 0.00 29.97 30.05 1jkd h ARG 62 CO 0.00 1.29 -1.85 0.66 -1.51 0.00 0.00 179.97 178.55 1jkd n TYR 63 N -3.99 0.00 -0.09 2.20 4.02 -1.24 0.13 117.16 118.19 1jkd n TYR 63 Ca -0.14 0.00 -0.19 0.00 -0.01 0.00 0.00 57.90 57.56 1jkd n TYR 63 Cb 0.88 -0.59 -0.07 0.00 -0.02 0.00 0.00 39.34 39.55 1jkd n TYR 63 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 176.86 176.76 1jkd n TRP 64 N -2.40 0.00 -4.41 -0.72 7.02 -1.04 -1.01 117.44 114.89 1jkd n TRP 64 Ca -0.18 0.00 -0.25 0.00 -1.02 0.00 0.00 57.50 56.05 1jkd n TRP 64 Cb 0.83 -0.66 -0.11 0.00 -2.42 0.00 0.00 31.31 28.95 1jkd n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1jkd s ASN 66 N -2.86 5.80 0.00 0.00 2.47 -0.20 -4.41 114.94 115.74 1jkd s ASN 66 Ca 0.21 0.06 0.01 0.00 0.42 0.00 0.00 52.86 53.56 1jkd s ASN 66 Cb -0.06 -2.03 0.01 0.00 -1.45 0.00 0.00 41.25 37.72 1jkd s ASN 66 CO 0.10 0.10 0.72 -0.90 -3.72 0.00 0.00 177.10 173.39 1jkd n ASP 67 N 4.06 1.46 0.00 -4.21 5.68 -1.26 -1.46 116.55 120.81 1jkd n ASP 67 Ca -0.16 -1.41 0.00 0.00 -0.50 0.00 0.00 54.79 52.72 1jkd n ASP 67 Cb 0.52 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.49 1jkd n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1jkd n GLY 68 N -0.14 2.05 0.00 6.12 0.00 -1.26 -4.76 105.19 107.21 1jkd n GLY 68 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1jkd n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1jkd n LYS 69 N -1.95 2.31 -3.62 1.61 2.85 -1.26 -5.01 118.16 113.10 1jkd n LYS 69 Ca 0.00 -1.33 -0.37 0.00 -1.05 0.00 0.00 58.31 55.56 1jkd n LYS 69 Cb 0.00 -1.00 -0.10 0.00 -0.65 0.00 0.00 35.03 33.28 1jkd n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1jkd s THR 70 N -0.83 5.33 0.30 0.58 2.01 -1.26 -4.97 115.64 116.80 1jkd s THR 70 Ca 0.00 0.18 -0.29 0.00 0.31 0.00 0.00 61.69 61.89 1jkd s THR 70 Cb 0.00 -3.52 -0.10 0.00 0.01 0.00 0.00 72.50 68.89 1jkd s THR 70 CO 0.00 0.30 1.40 -2.84 -0.69 0.00 0.00 174.62 172.78 1jkd s PRO 71 N 1.42 4.28 -1.32 4.92 0.02 -1.26 -2.89 135.00 140.17 1jkd s PRO 71 Ca 0.07 2.31 0.00 0.00 0.02 0.00 0.00 61.00 63.40 1jkd s PRO 71 Cb -0.15 -3.08 0.00 0.00 0.02 0.00 0.00 34.50 31.30 1jkd s PRO 71 CO 0.08 -0.35 0.00 0.41 -0.33 0.00 0.00 177.00 176.81 1jkd n GLY 72 N 1.44 1.31 3.71 0.52 0.00 -1.26 -4.93 105.19 105.97 1jkd n GLY 72 Ca 0.03 -0.44 -0.43 0.00 0.00 0.00 0.00 46.02 45.18 1jkd n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jkd n ALA 73 N 1.17 1.74 -0.12 4.61 0.00 -1.14 -4.85 120.51 121.92 1jkd n ALA 73 Ca -0.13 0.39 -0.15 0.00 0.00 0.00 0.00 53.44 53.55 1jkd n ALA 73 Cb 0.41 -2.35 -0.13 0.00 0.00 0.00 0.00 19.45 17.39 1jkd n ALA 73 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1jkd n VAL 74 N 1.68 1.43 -3.50 0.00 0.31 0.12 -5.00 118.33 113.37 1jkd n VAL 74 Ca 0.09 -0.63 -0.18 0.00 -0.01 0.00 0.00 64.34 63.60 1jkd n VAL 74 Cb 0.34 -1.15 0.08 0.00 -0.91 0.00 0.00 33.84 32.21 1jkd n VAL 74 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1jkd n ASN 75 N -3.10 -2.13 0.03 4.52 5.15 -1.19 -4.90 115.26 113.64 1jkd n ASN 75 Ca -0.41 -0.66 0.05 0.00 -0.60 0.00 0.00 54.58 52.96 1jkd n ASN 75 Cb 1.02 -4.90 0.46 0.00 -0.53 0.00 0.00 39.78 35.83 1jkd n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1jkd h ALA 76 N 0.90 1.76 0.00 5.20 0.00 -0.96 -1.20 119.26 124.96 1jkd h ALA 76 Ca -0.59 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1jkd h ALA 76 Cb 1.35 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1jkd h ALA 76 CO 0.52 0.22 -0.05 0.00 0.00 0.00 0.00 179.25 179.94 1jkd n HIS 78 N -1.71 -2.12 -4.05 0.00 -0.00 -0.45 -4.98 115.22 101.91 1jkd n HIS 78 Ca 0.06 0.90 -0.12 0.00 -0.00 0.00 0.00 57.72 58.57 1jkd n HIS 78 Cb 0.37 -4.73 -0.11 0.00 -0.00 0.00 0.00 29.99 25.51 1jkd n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1jkd s LEU 79 N -6.61 2.27 0.25 2.41 1.43 -1.26 -5.08 118.68 112.09 1jkd s LEU 79 Ca 0.08 -0.57 -0.29 0.00 -1.03 0.00 0.00 54.13 52.32 1jkd s LEU 79 Cb -0.04 -0.09 -0.09 0.00 0.03 0.00 0.00 46.19 46.01 1jkd s LEU 79 CO 0.77 -0.25 0.93 -0.55 0.23 0.00 0.00 176.35 177.48 1jkd s SER 80 N -1.65 7.58 0.61 2.29 0.15 -1.26 -1.03 113.70 120.39 1jkd s SER 80 Ca -0.10 1.91 0.34 0.00 0.70 0.00 0.00 55.95 58.79 1jkd s SER 80 Cb -0.09 -2.60 1.99 0.00 -1.71 0.00 0.00 66.02 63.62 1jkd s SER 80 CO -0.00 0.13 2.29 0.00 1.20 0.00 0.00 173.24 176.85 1jkd h SER 82 N 0.00 0.42 0.32 0.00 0.87 -1.91 -0.17 113.55 113.07 1jkd h SER 82 Ca -0.00 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1jkd h SER 82 Cb 0.01 -0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 61.88 1jkd h SER 82 CO 0.00 0.27 -0.00 0.00 -0.53 0.00 0.00 176.83 176.57 1jkd h ALA 83 N 1.71 1.01 -0.44 6.23 0.00 -1.36 -2.01 119.26 124.40 1jkd h ALA 83 Ca 0.24 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1jkd h ALA 83 Cb 0.34 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1jkd h ALA 83 CO -0.07 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.47 1jkd n LEU 84 N -3.10 2.54 -0.16 0.00 4.77 -0.08 -3.86 117.00 117.11 1jkd n LEU 84 Ca -0.02 -1.24 0.03 0.00 -0.03 0.00 0.00 56.01 54.75 1jkd n LEU 84 Cb 0.15 -0.29 0.06 0.00 -2.33 0.00 0.00 43.42 41.00 1jkd n LEU 84 CO 0.22 0.62 0.54 0.18 -1.33 0.00 0.00 177.39 177.63 1jkd n LEU 85 N 0.89 2.30 -4.84 2.23 4.77 -0.75 -3.39 117.00 118.20 1jkd n LEU 85 Ca 0.16 -2.22 -0.31 0.00 -0.03 0.00 0.00 56.01 53.61 1jkd n LEU 85 Cb 0.41 -0.13 0.03 0.00 -2.33 0.00 0.00 43.42 41.40 1jkd n LEU 85 CO 0.12 0.58 0.72 -1.10 -1.33 0.00 0.00 177.39 176.37 1jkd s GLN 86 N -1.39 3.21 0.23 3.23 -0.21 -1.25 -4.61 119.66 118.88 1jkd s GLN 86 Ca 0.11 0.84 0.06 0.00 0.02 0.00 0.00 55.36 56.39 1jkd s GLN 86 Cb 0.08 -2.03 0.22 0.00 1.00 0.00 0.00 33.01 32.28 1jkd s GLN 86 CO 0.04 -0.87 1.53 -0.44 -2.12 0.00 0.00 175.29 173.43 1jkd h ASP 87 N -0.55 0.18 -3.17 5.90 5.19 -1.94 -3.41 116.42 118.63 1jkd h ASP 87 Ca -0.44 -0.12 -0.58 0.00 -0.62 0.00 0.00 57.03 55.27 1jkd h ASP 87 Cb 1.20 -0.05 -0.07 0.00 0.18 0.00 0.00 39.33 40.59 1jkd h ASP 87 CO 0.59 0.80 0.66 0.21 -3.12 0.00 0.00 179.24 178.38 1jkd s ASN 88 N -6.88 7.00 -0.01 6.45 3.84 -1.26 -4.89 114.94 119.18 1jkd s ASN 88 Ca -0.03 1.25 0.14 0.00 0.21 0.00 0.00 52.86 54.43 1jkd s ASN 88 Cb 0.12 -2.50 0.42 0.00 -0.55 0.00 0.00 41.25 38.74 1jkd s ASN 88 CO 0.79 -0.60 1.34 2.30 -2.79 0.00 0.00 177.10 178.15 1jkd n ILE 89 N 5.25 0.70 -0.31 -5.21 -5.35 -1.26 -4.48 119.36 108.71 1jkd n ILE 89 Ca 0.09 -0.64 0.04 0.00 -0.27 0.00 0.00 62.75 61.97 1jkd n ILE 89 Cb 0.47 0.26 0.19 0.00 -1.74 0.00 0.00 39.64 38.82 1jkd n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1jkd h ALA 90 N 3.81 1.25 -0.23 -1.28 0.00 -1.95 0.31 119.26 121.18 1jkd h ALA 90 Ca 0.00 0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.77 1jkd h ALA 90 Cb 0.68 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 1jkd h ALA 90 CO 0.02 0.10 -0.55 -0.44 0.00 0.00 0.00 179.25 178.38 1jkd h ASP 91 N 0.81 0.78 -0.71 0.00 3.32 -1.86 -1.90 116.42 116.86 1jkd h ASP 91 Ca 0.42 -0.42 -0.02 0.00 0.02 0.00 0.00 57.03 57.04 1jkd h ASP 91 Cb 0.42 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.71 1jkd h ASP 91 CO -0.26 1.17 0.38 0.00 -1.72 0.00 0.00 179.24 178.81 1jkd h ALA 92 N 0.84 0.91 -0.54 3.45 0.00 -1.52 -1.55 119.26 120.85 1jkd h ALA 92 Ca 0.01 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 1jkd h ALA 92 Cb 1.13 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1jkd h ALA 92 CO 0.11 0.43 0.15 0.28 0.00 0.00 0.00 179.25 180.22 1jkd h VAL 93 N 0.98 1.24 -0.84 0.00 2.07 -0.84 0.59 116.25 119.44 1jkd h VAL 93 Ca 0.25 -0.84 -0.03 0.00 0.82 0.00 0.00 66.70 66.90 1jkd h VAL 93 Cb 0.05 0.75 -0.04 0.00 -1.52 0.00 0.00 31.29 30.53 1jkd h VAL 93 CO -0.04 0.31 0.41 0.00 0.02 0.00 0.00 177.57 178.27 1jkd h ALA 94 N 1.02 1.14 -0.09 1.67 0.00 -1.00 -1.17 119.26 120.83 1jkd h ALA 94 Ca 0.17 -0.16 -0.22 0.00 0.00 0.00 0.00 54.91 54.71 1jkd h ALA 94 Cb 0.31 -0.33 0.01 0.00 0.00 0.00 0.00 17.79 17.78 1jkd h ALA 94 CO -0.00 0.66 -0.83 0.00 0.00 0.00 0.00 179.25 179.08 1jkd h ALA 96 N 0.67 1.62 -0.41 0.00 0.00 -0.60 -1.10 119.26 119.43 1jkd h ALA 96 Ca -0.06 -0.21 -0.16 0.00 0.00 0.00 0.00 54.91 54.49 1jkd h ALA 96 Cb 1.44 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 1jkd h ALA 96 CO 0.16 0.29 -0.35 0.87 0.00 0.00 0.00 179.25 180.22 1jkd h LYS 97 N 0.01 0.96 -0.63 0.00 1.57 -1.10 -2.75 116.57 114.63 1jkd h LYS 97 Ca -0.00 -0.49 -0.02 0.00 -1.87 0.00 0.00 60.65 58.27 1jkd h LYS 97 Cb 0.40 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.69 1jkd h LYS 97 CO 0.03 1.15 0.30 -0.09 -0.57 0.00 0.00 179.45 180.27 1jkd h ARG 98 N 0.79 0.90 0.51 3.15 9.65 -1.09 -2.79 114.38 125.50 1jkd h ARG 98 Ca 0.07 -0.13 -0.01 0.00 -1.10 0.00 0.00 59.98 58.81 1jkd h ARG 98 Cb 0.94 -0.16 -0.02 0.00 -1.39 0.00 0.00 29.97 29.34 1jkd h ARG 98 CO 0.09 0.72 -0.48 0.28 2.80 0.00 0.00 179.97 183.38 1jkd h VAL 99 N 0.86 0.05 0.00 0.20 2.07 -1.13 -2.36 116.25 115.94 1jkd h VAL 99 Ca 0.22 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.74 1jkd h VAL 99 Cb 0.11 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 29.94 1jkd h VAL 99 CO -0.03 0.00 0.00 1.33 0.02 0.00 0.00 177.57 178.89 1jkd n VAL 100 N -5.56 1.03 1.19 2.57 0.24 -1.05 -1.56 118.33 115.20 1jkd n VAL 100 Ca -0.12 0.26 0.13 0.00 -2.04 0.00 0.00 64.34 62.57 1jkd n VAL 100 Cb 0.45 -1.11 0.64 0.00 -1.47 0.00 0.00 33.84 32.36 1jkd n VAL 100 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1jkd n ARG 101 N -1.37 0.33 -1.81 7.34 1.74 -0.89 -4.12 116.66 117.89 1jkd n ARG 101 Ca 0.03 0.04 -0.31 0.00 -0.77 0.00 0.00 57.85 56.85 1jkd n ARG 101 Cb 0.08 -1.50 0.02 0.00 -1.02 0.00 0.00 32.46 30.05 1jkd n ARG 101 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1jkd s ASP 102 N -2.62 5.92 0.54 0.55 1.11 -0.60 -4.94 116.67 116.64 1jkd s ASP 102 Ca 0.23 1.52 0.29 0.00 0.18 0.00 0.00 52.55 54.78 1jkd s ASP 102 Cb 0.17 -2.49 1.45 0.00 1.07 0.00 0.00 42.92 43.13 1jkd s ASP 102 CO 0.40 -1.08 1.93 -0.65 1.18 0.00 0.00 175.17 176.96 1jkd h PRO 103 N -0.34 0.00 0.00 8.23 0.11 -1.89 -1.06 132.00 137.05 1jkd h PRO 103 Ca -0.44 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.56 1jkd h PRO 103 Cb 1.20 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 1jkd h PRO 103 CO 0.60 0.00 -0.53 0.37 -0.21 0.00 0.00 178.00 178.23 1jkd h GLN 104 N 0.00 0.00 0.00 1.05 4.15 -1.92 -3.49 115.11 114.90 1jkd h GLN 104 Ca 0.32 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.74 1jkd h GLN 104 Cb 1.35 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.04 1jkd h GLN 104 CO -0.00 0.53 0.00 0.41 -1.93 0.00 0.00 178.83 177.83 1jkd n GLY 105 N 0.51 0.72 0.06 2.39 0.00 -0.41 -2.72 105.19 105.74 1jkd n GLY 105 Ca -0.00 -0.76 0.10 0.00 0.00 0.00 0.00 46.02 45.35 1jkd n GLY 105 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1jkd n ILE 106 N 0.00 0.84 0.29 -0.61 3.06 -1.26 -2.52 119.36 119.16 1jkd n ILE 106 Ca 0.00 0.19 0.16 0.00 -2.50 0.00 0.00 62.75 60.60 1jkd n ILE 106 Cb 0.00 -1.00 0.87 0.00 0.54 0.00 0.00 39.64 40.05 1jkd n ILE 106 CO 0.00 0.00 0.00 -0.09 -2.50 0.00 0.00 176.55 173.96 1jkd h ARG 107 N 0.00 0.00 -0.48 9.51 2.43 -1.93 -2.66 114.38 121.25 1jkd h ARG 107 Ca 0.00 0.00 0.08 0.00 -0.81 0.00 0.00 59.98 59.25 1jkd h ARG 107 Cb 0.34 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 29.83 1jkd h ARG 107 CO 0.00 0.06 0.10 0.00 -1.51 0.00 0.00 179.97 178.61 1jkd h ALA 108 N 1.94 0.54 -1.87 2.80 0.00 -1.63 -3.40 119.26 117.65 1jkd h ALA 108 Ca -0.00 0.10 -0.57 0.00 0.00 0.00 0.00 54.91 54.44 1jkd h ALA 108 Cb 0.23 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 1jkd h ALA 108 CO 0.01 -0.31 1.18 0.00 0.00 0.00 0.00 179.25 180.13 1jkd s ALA 109 N -6.14 2.99 0.38 0.00 0.00 -1.00 -4.88 121.76 113.10 1jkd s ALA 109 Ca -0.13 0.15 0.07 0.00 0.00 0.00 0.00 51.96 52.05 1jkd s ALA 109 Cb 0.15 -3.96 0.80 0.00 0.00 0.00 0.00 23.12 20.11 1jkd s ALA 109 CO 0.72 -2.45 1.97 0.28 0.00 0.00 0.00 175.76 176.28 1jkd h VAL 110 N 6.60 1.00 -0.63 0.00 2.07 -1.88 -0.95 116.25 122.46 1jkd h VAL 110 Ca -0.32 -0.23 0.01 0.00 0.82 0.00 0.00 66.70 66.98 1jkd h VAL 110 Cb 1.14 0.26 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 1jkd h VAL 110 CO 1.04 0.12 0.42 0.00 0.02 0.00 0.00 177.57 179.17 1jkd h ALA 111 N 1.63 1.54 -0.35 1.67 0.00 -1.95 -0.57 119.26 121.23 1jkd h ALA 111 Ca 0.30 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 55.08 1jkd h ALA 111 Cb 0.30 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1jkd h ALA 111 CO -0.10 0.42 -0.11 2.35 0.00 0.00 0.00 179.25 181.81 1jkd h TRP 112 N 0.86 0.80 -0.48 0.00 7.01 -1.50 -2.11 115.95 120.53 1jkd h TRP 112 Ca 0.23 -0.18 -0.00 0.00 2.11 0.00 0.00 58.89 61.05 1jkd h TRP 112 Cb -0.09 -0.19 -0.02 0.00 -2.10 0.00 0.00 29.16 26.75 1jkd h TRP 112 CO 0.00 0.87 0.29 0.00 -2.79 0.00 0.00 178.44 176.81 1jkd h ARG 113 N 0.49 0.65 -0.31 2.65 3.08 -1.19 0.54 114.38 120.29 1jkd h ARG 113 Ca 0.09 -0.06 -0.15 0.00 0.07 0.00 0.00 59.98 59.93 1jkd h ARG 113 Cb 0.63 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.54 1jkd h ARG 113 CO 0.04 0.47 -0.39 -0.91 -1.07 0.00 0.00 179.97 178.11 1jkd h ASN 114 N 0.63 0.79 0.00 7.04 2.35 -1.09 -3.35 115.58 121.95 1jkd h ASN 114 Ca 0.17 -0.36 0.00 0.00 -0.55 0.00 0.00 56.30 55.56 1jkd h ASN 114 Cb -0.01 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.14 1jkd h ASN 114 CO -0.03 1.09 0.00 -2.11 -1.65 0.00 0.00 177.43 174.73 1jkd n ARG 115 N -4.04 -0.25 0.00 0.81 0.00 -0.80 -4.89 116.66 107.49 1jkd n ARG 115 Ca -0.02 -0.58 0.00 0.00 -0.00 0.00 0.00 57.85 57.25 1jkd n ARG 115 Cb 0.53 -0.92 0.00 0.00 -0.00 0.00 0.00 32.46 32.07 1jkd n ARG 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1jkd s GLN 117 N -1.81 4.17 -1.83 0.00 0.74 -0.24 -2.49 119.66 118.20 1jkd s GLN 117 Ca 0.00 2.50 0.00 0.00 0.05 0.00 0.00 55.36 57.91 1jkd s GLN 117 Cb 0.00 -3.09 0.00 0.00 1.10 0.00 0.00 33.01 31.02 1jkd s GLN 117 CO 0.00 -0.64 0.00 0.09 -0.55 0.00 0.00 175.29 174.19 1jkd n ASN 118 N 3.32 -5.30 -4.41 6.67 5.03 -1.26 -4.97 115.26 114.35 1jkd n ASN 118 Ca 0.12 0.28 -0.21 0.00 0.87 0.00 0.00 54.58 55.64 1jkd n ASN 118 Cb 0.37 -4.40 -0.10 0.00 -1.02 0.00 0.00 39.78 34.63 1jkd n ASN 118 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1jkd s ARG 119 N -4.10 1.51 -0.56 3.52 0.52 -1.04 -5.08 118.95 113.73 1jkd s ARG 119 Ca 0.00 -1.69 -0.28 0.00 -0.52 0.00 0.00 55.73 53.24 1jkd s ARG 119 Cb 0.00 -1.44 0.02 0.00 0.52 0.00 0.00 34.95 34.05 1jkd s ARG 119 CO 0.00 0.25 1.38 0.34 0.02 0.00 0.00 175.30 177.28 1jkd s ASP 120 N -3.42 6.19 -0.00 0.23 2.15 -1.26 -4.85 116.67 115.71 1jkd s ASP 120 Ca 0.26 0.27 0.15 0.00 0.43 0.00 0.00 52.55 53.67 1jkd s ASP 120 Cb -0.03 -2.55 0.44 0.00 -0.30 0.00 0.00 42.92 40.49 1jkd s ASP 120 CO 0.11 -1.66 1.37 1.33 -0.17 0.00 0.00 175.17 176.15 1jkd n VAL 121 N 6.83 1.00 0.28 1.11 0.24 -1.26 -4.57 118.33 121.96 1jkd n VAL 121 Ca 0.12 -1.00 0.15 0.00 -2.04 0.00 0.00 64.34 61.56 1jkd n VAL 121 Cb 0.49 0.50 0.83 0.00 -1.47 0.00 0.00 33.84 34.19 1jkd n VAL 121 CO 0.00 0.00 0.00 0.08 -2.14 0.00 0.00 176.83 174.77 1jkd h ARG 122 N 2.93 0.00 -0.19 7.34 0.11 -1.91 -2.45 114.38 120.21 1jkd h ARG 122 Ca 0.00 0.00 0.06 0.00 0.10 0.00 0.00 59.98 60.14 1jkd h ARG 122 Cb 0.84 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.91 1jkd h ARG 122 CO 0.00 0.07 0.22 -0.56 0.10 0.00 0.00 179.97 179.80 1jkd h GLN 123 N 0.00 0.00 0.00 0.08 3.07 -1.97 -2.39 115.11 113.90 1jkd h GLN 123 Ca -0.00 0.00 -0.10 0.00 0.09 0.00 0.00 58.65 58.64 1jkd h GLN 123 Cb 0.23 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.77 1jkd h GLN 123 CO 0.01 0.00 -0.49 1.88 0.09 0.00 0.00 178.83 180.32 1jkd h TYR 124 N 0.00 0.00 -0.01 0.06 0.05 -1.77 -3.29 116.97 112.01 1jkd h TYR 124 Ca 0.09 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.87 1jkd h TYR 124 Cb 0.52 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.26 1jkd h TYR 124 CO 0.00 0.49 -0.03 1.33 -1.05 0.00 0.00 178.16 178.89 1jkd n VAL 125 N -3.63 0.00 -2.07 -2.88 0.24 -0.93 -4.84 118.33 104.22 1jkd n VAL 125 Ca -0.01 -0.48 -0.42 0.00 -2.04 0.00 0.00 64.34 61.39 1jkd n VAL 125 Cb 0.57 1.19 -0.03 0.00 -1.47 0.00 0.00 33.84 34.09 1jkd n VAL 125 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1jkd s GLN 126 N -0.90 4.24 0.00 7.34 -1.52 -1.04 -2.53 119.66 125.25 1jkd s GLN 126 Ca 0.11 2.16 0.00 0.00 -1.95 0.00 0.00 55.36 55.67 1jkd s GLN 126 Cb 0.08 -3.59 0.00 0.00 -0.22 0.00 0.00 33.01 29.28 1jkd s GLN 126 CO 0.14 -0.66 0.00 0.41 -0.25 0.00 0.00 175.29 174.93 1jkd n GLY 127 N 3.83 0.87 0.09 3.09 0.00 -1.26 -4.93 105.19 106.88 1jkd n GLY 127 Ca 0.15 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.30 1jkd n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jkd n GLY 129 N 1.36 0.08 0.06 0.00 0.00 -1.26 -4.83 105.19 100.59 1jkd n GLY 129 Ca 0.12 -0.28 0.01 0.00 0.00 0.00 0.00 46.02 45.87 1jkd n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65