#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jkc s VAL 2 N 0.00 4.29 0.51 3.15 1.01 -1.26 -1.45 120.40 126.65 1jkc s VAL 2 Ca 0.00 -0.73 -0.21 0.00 0.00 0.00 0.00 61.98 61.04 1jkc s VAL 2 Cb 0.00 -3.29 -0.07 0.00 0.00 0.00 0.00 36.38 33.02 1jkc s VAL 2 CO 0.00 -0.06 1.12 -0.36 0.00 0.00 0.00 175.10 175.81 1jkc s PHE 3 N 1.53 2.80 0.33 5.22 0.40 -0.35 -5.01 117.98 122.91 1jkc s PHE 3 Ca 0.02 1.55 -0.14 0.00 -0.60 0.00 0.00 56.93 57.77 1jkc s PHE 3 Cb -0.18 -3.28 -0.08 0.00 0.51 0.00 0.00 43.02 39.99 1jkc s PHE 3 CO 0.05 -1.41 0.73 -1.21 0.70 0.00 0.00 175.22 174.08 1jkc s GLU 4 N -3.09 3.95 0.12 0.44 0.41 -1.26 -4.89 118.70 114.39 1jkc s GLU 4 Ca 0.69 0.61 -0.33 0.00 -0.41 0.00 0.00 54.97 55.53 1jkc s GLU 4 Cb -0.24 -2.43 -0.12 0.00 -1.78 0.00 0.00 34.13 29.56 1jkc s GLU 4 CO 0.28 0.13 1.54 -0.09 -0.49 0.00 0.00 175.26 176.62 1jkc h ARG 5 N 2.07 -0.51 0.00 1.61 2.43 -1.96 -1.54 114.38 116.47 1jkc h ARG 5 Ca -0.48 0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 58.66 1jkc h ARG 5 Cb 1.18 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.83 1jkc h ARG 5 CO 0.65 -0.34 -0.34 0.00 -1.51 0.00 0.00 179.97 178.42 1jkc h GLU 7 N 0.00 0.66 -0.35 0.00 4.81 -1.84 -1.40 114.58 116.46 1jkc h GLU 7 Ca -0.00 -0.10 -0.04 0.00 -0.13 0.00 0.00 59.36 59.09 1jkc h GLU 7 Cb 0.71 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.96 1jkc h GLU 7 CO 0.04 0.56 0.06 1.25 -0.73 0.00 0.00 179.01 180.20 1jkc h LEU 8 N 0.59 0.55 -0.65 1.64 5.85 -0.97 -1.48 115.31 120.85 1jkc h LEU 8 Ca 0.16 -0.26 0.03 0.00 0.84 0.00 0.00 57.88 58.65 1jkc h LEU 8 Cb 0.13 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 40.97 1jkc h LEU 8 CO -0.02 0.67 0.40 0.00 -0.34 0.00 0.00 178.44 179.14 1jkc h ALA 9 N 0.90 0.84 -0.46 1.25 0.00 -1.12 0.83 119.26 121.50 1jkc h ALA 9 Ca 0.11 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 1jkc h ALA 9 Cb 0.35 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1jkc h ALA 9 CO 0.01 0.15 -0.12 0.00 0.00 0.00 0.00 179.25 179.28 1jkc h ARG 10 N 0.78 0.85 -0.07 0.00 3.08 -1.16 -1.71 114.38 116.14 1jkc h ARG 10 Ca 0.26 -0.30 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 1jkc h ARG 10 Cb 0.03 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.02 1jkc h ARG 10 CO -0.11 0.93 0.03 1.15 -1.07 0.00 0.00 179.97 180.90 1jkc h THR 11 N 0.76 1.14 -0.41 2.04 2.02 -0.42 -1.32 112.91 116.72 1jkc h THR 11 Ca 0.12 -0.40 -0.02 0.00 0.77 0.00 0.00 66.41 66.88 1jkc h THR 11 Cb 0.63 1.27 -0.02 0.00 -1.74 0.00 0.00 68.15 68.29 1jkc h THR 11 CO 0.04 0.12 0.16 -0.07 0.37 0.00 0.00 175.52 176.14 1jkc h LEU 12 N -0.03 0.52 0.03 2.58 3.38 -0.77 -1.90 115.31 119.12 1jkc h LEU 12 Ca 0.03 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1jkc h LEU 12 Cb 0.16 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1jkc h LEU 12 CO -0.00 0.48 -0.02 0.50 0.09 0.00 0.00 178.44 179.49 1jkc h LYS 13 N 0.57 -0.04 -0.69 1.13 1.63 -1.00 -1.46 116.57 116.71 1jkc h LYS 13 Ca 0.14 0.00 0.03 0.00 -0.85 0.00 0.00 60.65 59.97 1jkc h LYS 13 Cb 0.12 0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 31.73 1jkc h LYS 13 CO -0.01 0.07 0.46 0.00 -3.45 0.00 0.00 179.45 176.51 1jkc h ARG 14 N -0.14 0.82 0.00 1.90 3.08 -0.81 -1.52 114.38 117.71 1jkc h ARG 14 Ca -0.00 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1jkc h ARG 14 Cb 0.13 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 29.99 1jkc h ARG 14 CO 0.01 0.54 0.00 1.28 -1.07 0.00 0.00 179.97 180.73 1jkc n LEU 15 N -4.45 0.00 -0.25 3.04 4.77 -0.75 -4.89 117.00 114.46 1jkc n LEU 15 Ca 0.09 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 56.04 1jkc n LEU 15 Cb 0.12 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.20 1jkc n LEU 15 CO 0.35 0.00 -0.03 0.61 -1.33 0.00 0.00 177.39 176.99 1jkc n GLY 16 N 0.61 0.38 0.16 -0.72 0.00 -0.57 -4.97 105.19 100.07 1jkc n GLY 16 Ca 0.06 -0.85 0.07 0.00 0.00 0.00 0.00 46.02 45.30 1jkc n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1jkc h MET 17 N 0.00 0.00 -6.22 1.61 2.86 -1.43 -3.40 114.93 108.35 1jkc h MET 17 Ca -0.06 0.00 -0.58 0.00 -2.06 0.00 0.00 59.70 57.01 1jkc h MET 17 Cb 0.72 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.36 1jkc h MET 17 CO 0.07 0.19 1.29 0.34 1.06 0.00 0.00 176.91 179.86 1jkc s ASP 18 N -6.04 5.91 0.00 1.22 2.15 -1.26 -1.84 116.67 116.81 1jkc s ASP 18 Ca 0.03 1.53 0.00 0.00 0.43 0.00 0.00 52.55 54.54 1jkc s ASP 18 Cb 0.07 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.17 1jkc s ASP 18 CO 0.74 -1.65 0.00 0.61 -0.17 0.00 0.00 175.17 174.70 1jkc n GLY 19 N 5.33 0.69 3.66 2.66 0.00 0.99 -4.91 105.19 113.60 1jkc n GLY 19 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 1jkc n GLY 19 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1jkc s TYR 20 N -2.54 1.57 -1.45 1.61 5.04 -0.76 -1.22 117.35 119.60 1jkc s TYR 20 Ca 0.00 -0.21 -0.10 0.00 -2.44 0.00 0.00 57.07 54.32 1jkc s TYR 20 Cb 0.00 -4.13 0.05 0.00 0.35 0.00 0.00 41.96 38.23 1jkc s TYR 20 CO 0.00 -4.95 0.73 0.54 -1.34 0.00 0.00 175.55 170.52 1jkc n ARG 21 N 7.27 -4.79 -1.01 4.97 5.12 -1.26 -1.15 116.66 125.82 1jkc n ARG 21 Ca 0.19 0.66 -0.00 0.00 -1.93 0.00 0.00 57.85 56.76 1jkc n ARG 21 Cb 0.41 -5.49 -0.00 0.00 -1.16 0.00 0.00 32.46 26.22 1jkc n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1jkc n GLY 22 N -1.49 0.42 3.60 -0.13 0.00 -0.36 -5.00 105.19 102.23 1jkc n GLY 22 Ca -0.02 -0.07 -0.38 0.00 0.00 0.00 0.00 46.02 45.55 1jkc n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jkc s ILE 23 N -1.82 5.27 0.66 -0.61 1.01 -0.30 -4.88 121.20 120.52 1jkc s ILE 23 Ca 0.00 0.30 -0.14 0.00 0.00 0.00 0.00 60.65 60.81 1jkc s ILE 23 Cb 0.00 -3.58 -0.00 0.00 0.01 0.00 0.00 42.46 38.88 1jkc s ILE 23 CO 0.00 0.23 1.09 -0.94 0.00 0.00 0.00 174.94 175.32 1jkc s SER 24 N 1.65 5.23 0.30 3.58 1.04 -1.26 -0.01 113.70 124.24 1jkc s SER 24 Ca 0.10 1.92 0.01 0.00 0.48 0.00 0.00 55.95 58.46 1jkc s SER 24 Cb -0.16 -2.54 0.56 0.00 0.10 0.00 0.00 66.02 63.98 1jkc s SER 24 CO 0.10 -1.55 1.90 0.25 0.98 0.00 0.00 173.24 174.92 1jkc h LEU 25 N -0.03 0.89 -1.24 2.42 5.85 -1.91 -1.19 115.31 120.09 1jkc h LEU 25 Ca -0.46 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.26 1jkc h LEU 25 Cb 1.24 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 42.06 1jkc h LEU 25 CO 0.55 0.55 0.34 0.00 -0.34 0.00 0.00 178.44 179.54 1jkc h ALA 26 N 1.52 1.43 -0.49 1.25 0.00 -1.92 0.08 119.26 121.13 1jkc h ALA 26 Ca 0.41 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 55.12 1jkc h ALA 26 Cb 0.28 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1jkc h ALA 26 CO -0.17 0.48 -0.07 -0.91 0.00 0.00 0.00 179.25 178.58 1jkc h ASN 27 N 0.87 0.91 -0.70 0.00 2.35 -1.54 -0.68 115.58 116.80 1jkc h ASN 27 Ca 0.22 -0.34 -0.06 0.00 -0.55 0.00 0.00 56.30 55.57 1jkc h ASN 27 Cb 0.02 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.11 1jkc h ASN 27 CO -0.04 1.04 0.20 -0.50 -1.65 0.00 0.00 177.43 176.49 1jkc h TRP 28 N 0.77 1.15 -0.34 1.19 4.06 -0.98 -1.53 115.95 120.26 1jkc h TRP 28 Ca 0.13 -0.12 -0.04 0.00 2.06 0.00 0.00 58.89 60.92 1jkc h TRP 28 Cb 0.61 -0.33 -0.01 0.00 -1.00 0.00 0.00 29.16 28.43 1jkc h TRP 28 CO 0.05 0.92 0.08 0.52 -3.56 0.00 0.00 178.44 176.44 1jkc h MET 29 N 1.06 0.55 -0.81 0.49 2.86 -0.78 -1.13 114.93 117.18 1jkc h MET 29 Ca 0.23 -0.14 0.03 0.00 -2.06 0.00 0.00 59.70 57.76 1jkc h MET 29 Cb 0.33 -0.07 -0.05 0.00 0.06 0.00 0.00 31.60 31.87 1jkc h MET 29 CO -0.00 0.61 0.52 0.00 1.06 0.00 0.00 176.91 179.10 1jkc h LEU 31 N 1.02 -0.33 -0.75 0.00 5.85 -0.88 -2.37 115.31 117.84 1jkc h LEU 31 Ca 0.32 -0.00 0.05 0.00 0.84 0.00 0.00 57.88 59.08 1jkc h LEU 31 Cb -0.00 0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.06 1jkc h LEU 31 CO -0.11 -0.22 0.46 0.00 -0.34 0.00 0.00 178.44 178.23 1jkc h ALA 32 N 0.30 1.01 0.23 1.25 0.00 -0.95 -0.01 119.26 121.09 1jkc h ALA 32 Ca -0.04 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.87 1jkc h ALA 32 Cb 0.31 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1jkc h ALA 32 CO 0.07 0.21 -0.34 -0.22 0.00 0.00 0.00 179.25 178.97 1jkc h LYS 33 N 0.87 -0.61 0.00 0.00 1.63 -0.97 -2.10 116.57 115.39 1jkc h LYS 33 Ca 0.32 0.04 -0.05 0.00 -0.85 0.00 0.00 60.65 60.11 1jkc h LYS 33 Cb 0.10 0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 31.86 1jkc h LYS 33 CO -0.14 -0.41 -0.25 -1.49 -3.45 0.00 0.00 179.45 173.71 1jkc h TRP 34 N -0.63 0.00 0.06 1.91 4.06 -1.26 0.37 115.95 120.46 1jkc h TRP 34 Ca 0.00 0.00 -0.19 0.00 2.06 0.00 0.00 58.89 60.77 1jkc h TRP 34 Cb 0.62 0.00 0.02 0.00 -1.00 0.00 0.00 29.16 28.79 1jkc h TRP 34 CO -0.25 0.25 -0.78 0.93 -3.56 0.00 0.00 178.44 175.03 1jkc h GLU 35 N 0.00 0.42 0.00 0.49 4.39 -0.92 -3.43 114.58 115.53 1jkc h GLU 35 Ca -0.00 -0.53 0.00 0.00 0.34 0.00 0.00 59.36 59.16 1jkc h GLU 35 Cb 1.04 0.17 0.00 0.00 -0.10 0.00 0.00 28.75 29.86 1jkc h GLU 35 CO 0.03 1.20 0.00 -1.13 -1.16 0.00 0.00 179.01 177.95 1jkc n SER 36 N -4.12 0.04 -0.90 1.42 3.41 -0.82 -4.83 113.62 107.83 1jkc n SER 36 Ca -0.12 -0.46 -0.08 0.00 -0.26 0.00 0.00 58.87 57.95 1jkc n SER 36 Cb 0.77 0.05 -0.01 0.00 -0.26 0.00 0.00 64.21 64.77 1jkc n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jkc n GLY 37 N 0.05 0.08 2.30 5.00 0.00 0.12 -2.89 105.19 109.85 1jkc n GLY 37 Ca 0.00 -0.56 -0.15 0.00 0.00 0.00 0.00 46.02 45.32 1jkc n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1jkc n TYR 38 N -3.95 -0.60 -3.71 1.61 4.01 -1.17 -4.80 117.16 108.55 1jkc n TYR 38 Ca -0.09 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.27 1jkc n TYR 38 Cb 0.56 -3.02 -0.12 0.00 -0.31 0.00 0.00 39.34 36.44 1jkc n TYR 38 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1jkc s ASN 39 N -2.41 5.32 0.50 7.72 2.47 -1.14 -1.21 114.94 126.19 1jkc s ASN 39 Ca 0.00 -0.42 0.29 0.00 0.42 0.00 0.00 52.86 53.15 1jkc s ASN 39 Cb 0.00 -1.95 1.14 0.00 -1.45 0.00 0.00 41.25 38.98 1jkc s ASN 39 CO 0.00 -0.13 1.90 0.71 -3.72 0.00 0.00 177.10 175.87 1jkc h THR 40 N 5.64 0.28 -0.01 -5.21 1.35 -1.57 -3.09 112.91 110.30 1jkc h THR 40 Ca -0.35 -0.81 0.00 0.00 -0.55 0.00 0.00 66.41 64.71 1jkc h THR 40 Cb 1.16 1.64 0.00 0.00 -1.73 0.00 0.00 68.15 69.21 1jkc h THR 40 CO 0.60 0.11 -0.20 0.54 -0.25 0.00 0.00 175.52 176.31 1jkc n ARG 41 N -3.25 0.83 -1.72 4.72 1.74 -1.26 -4.06 116.66 113.66 1jkc n ARG 41 Ca 0.00 -0.44 -0.43 0.00 -0.77 0.00 0.00 57.85 56.22 1jkc n ARG 41 Cb 0.37 -1.49 -0.02 0.00 -1.02 0.00 0.00 32.46 30.29 1jkc n ARG 41 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1jkc n ALA 42 N -0.70 2.23 -2.99 7.54 0.00 -1.17 -4.79 120.51 120.63 1jkc n ALA 42 Ca 0.13 0.39 -0.09 0.00 0.00 0.00 0.00 53.44 53.87 1jkc n ALA 42 Cb 0.33 -2.43 -0.11 0.00 0.00 0.00 0.00 19.45 17.24 1jkc n ALA 42 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1jkc s THR 43 N 0.36 0.11 -0.19 0.00 -4.23 -1.26 -0.46 115.64 109.96 1jkc s THR 43 Ca 0.69 -0.90 -0.04 0.00 -1.18 0.00 0.00 61.69 60.26 1jkc s THR 43 Cb -0.55 -0.29 0.09 0.00 1.34 0.00 0.00 72.50 73.10 1jkc s THR 43 CO 0.44 -0.49 0.30 0.20 -0.54 0.00 0.00 174.62 174.53 1jkc s ASN 44 N -1.47 0.51 0.10 3.99 -0.87 -0.68 -4.97 114.94 111.54 1jkc s ASN 44 Ca -0.16 0.33 -0.27 0.00 -1.57 0.00 0.00 52.86 51.20 1jkc s ASN 44 Cb -0.10 0.82 -0.06 0.00 -0.02 0.00 0.00 41.25 41.89 1jkc s ASN 44 CO -0.01 -0.28 0.84 -0.47 -2.57 0.00 0.00 177.10 174.61 1jkc s TYR 45 N 2.46 3.80 -0.64 2.20 5.04 -1.26 -0.68 117.35 128.27 1jkc s TYR 45 Ca 0.05 1.63 -0.08 0.00 -2.44 0.00 0.00 57.07 56.23 1jkc s TYR 45 Cb -0.14 -2.89 0.17 0.00 0.35 0.00 0.00 41.96 39.45 1jkc s TYR 45 CO -0.12 0.31 0.51 -0.80 -1.34 0.00 0.00 175.55 174.10 1jkc s ASN 46 N -0.30 5.82 0.54 4.32 0.01 0.76 -4.93 114.94 121.16 1jkc s ASN 46 Ca 0.41 -2.52 0.23 0.00 -0.71 0.00 0.00 52.86 50.26 1jkc s ASN 46 Cb -0.22 -2.00 1.42 0.00 0.41 0.00 0.00 41.25 40.85 1jkc s ASN 46 CO 0.26 -0.53 2.07 0.00 -1.51 0.00 0.00 177.10 177.39 1jkc h ALA 47 N 7.68 2.20 -0.19 0.60 0.00 -1.96 0.15 119.26 127.73 1jkc h ALA 47 Ca -0.04 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.87 1jkc h ALA 47 Cb 1.01 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1jkc h ALA 47 CO 0.77 -0.38 0.10 0.78 0.00 0.00 0.00 179.25 180.52 1jkc h GLY 48 N 0.00 0.26 -0.48 0.00 0.00 -1.94 -3.26 103.07 97.64 1jkc h GLY 48 Ca 0.14 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.39 1jkc h GLY 48 CO -0.00 0.07 0.00 2.09 0.00 0.00 0.00 176.54 178.70 1jkc n ASP 49 N -4.99 2.03 -1.66 0.19 5.75 -1.10 -5.00 116.55 111.78 1jkc n ASP 49 Ca -0.03 -1.71 -0.15 0.00 -0.01 0.00 0.00 54.79 52.88 1jkc n ASP 49 Cb 0.04 -0.06 -0.02 0.00 -1.03 0.00 0.00 41.12 40.06 1jkc n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1jkc n ARG 50 N 0.05 -1.19 -3.86 0.11 1.74 0.50 -4.68 116.66 109.33 1jkc n ARG 50 Ca 0.04 0.78 -0.22 0.00 -0.77 0.00 0.00 57.85 57.68 1jkc n ARG 50 Cb 0.25 -5.10 -0.05 0.00 -1.02 0.00 0.00 32.46 26.54 1jkc n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1jkc s SER 51 N -2.39 4.90 -0.00 0.55 1.04 -1.16 -4.48 113.70 112.16 1jkc s SER 51 Ca 0.00 -0.75 0.02 0.00 0.48 0.00 0.00 55.95 55.70 1jkc s SER 51 Cb 0.00 -0.69 -0.01 0.00 0.10 0.00 0.00 66.02 65.42 1jkc s SER 51 CO 0.00 -0.47 -0.07 -0.89 0.98 0.00 0.00 173.24 172.79 1jkc s THR 52 N -2.44 0.58 -0.12 2.02 2.01 -1.26 -0.17 115.64 116.26 1jkc s THR 52 Ca 0.42 -0.32 -0.13 0.00 0.31 0.00 0.00 61.69 61.97 1jkc s THR 52 Cb -0.02 -0.49 -0.05 0.00 0.01 0.00 0.00 72.50 71.95 1jkc s THR 52 CO 0.25 0.16 0.31 -1.81 -0.69 0.00 0.00 174.62 172.84 1jkc s ASP 53 N -0.19 6.53 -0.06 3.53 1.01 0.14 -1.07 116.67 126.55 1jkc s ASP 53 Ca 0.03 0.62 0.06 0.00 0.71 0.00 0.00 52.55 53.96 1jkc s ASP 53 Cb -0.03 -2.19 -0.01 0.00 1.01 0.00 0.00 42.92 41.70 1jkc s ASP 53 CO -0.00 0.18 -0.24 -0.31 0.21 0.00 0.00 175.17 175.01 1jkc s TYR 54 N -0.06 2.39 0.00 4.23 1.51 0.21 -1.69 117.35 123.94 1jkc s TYR 54 Ca 0.18 -0.76 0.00 0.00 -1.01 0.00 0.00 57.07 55.48 1jkc s TYR 54 Cb -0.14 -1.57 0.00 0.00 -0.11 0.00 0.00 41.96 40.14 1jkc s TYR 54 CO 0.06 -0.25 0.00 0.41 -1.11 0.00 0.00 175.55 174.66 1jkc n GLY 55 N 3.07 -1.42 0.30 0.71 0.00 0.39 -1.91 105.19 106.33 1jkc n GLY 55 Ca -0.18 -1.28 0.12 0.00 0.00 0.00 0.00 46.02 44.68 1jkc n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1jkc h ILE 56 N 0.00 0.92 -0.13 -0.61 2.10 -1.69 -1.83 117.51 116.27 1jkc h ILE 56 Ca 0.00 -0.01 0.00 0.00 1.08 0.00 0.00 64.86 65.93 1jkc h ILE 56 Cb 0.00 0.89 0.00 0.00 -1.09 0.00 0.00 36.82 36.62 1jkc h ILE 56 CO 0.00 0.00 0.00 0.49 -1.08 0.00 0.00 178.15 177.56 1jkc n PHE 57 N -4.49 0.15 -3.78 2.19 3.72 -1.26 -3.95 117.46 110.04 1jkc n PHE 57 Ca 0.01 -0.12 -0.28 0.00 -0.05 0.00 0.00 57.45 57.02 1jkc n PHE 57 Cb 0.26 -0.00 0.02 0.00 -0.94 0.00 0.00 39.48 38.81 1jkc n PHE 57 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1jkc n GLN 58 N 0.87 -2.55 -2.52 -1.08 1.13 -0.69 -4.92 117.38 107.63 1jkc n GLN 58 Ca 0.11 0.47 -0.42 0.00 -1.94 0.00 0.00 57.00 55.22 1jkc n GLN 58 Cb 0.41 -4.44 -0.03 0.00 0.11 0.00 0.00 30.24 26.28 1jkc n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1jkc s ILE 59 N -3.67 4.22 0.19 5.09 1.01 -0.80 -4.41 121.20 122.82 1jkc s ILE 59 Ca 0.23 1.66 -0.29 0.00 0.00 0.00 0.00 60.65 62.25 1jkc s ILE 59 Cb -0.08 -4.06 -0.08 0.00 0.01 0.00 0.00 42.46 38.25 1jkc s ILE 59 CO 0.86 0.16 0.92 0.21 0.00 0.00 0.00 174.94 177.10 1jkc s ASN 60 N 0.78 7.56 0.00 3.58 3.84 -1.26 -0.61 114.94 128.82 1jkc s ASN 60 Ca 0.55 1.85 0.23 0.00 0.21 0.00 0.00 52.86 55.70 1jkc s ASN 60 Cb -0.27 -2.59 1.03 0.00 -0.55 0.00 0.00 41.25 38.87 1jkc s ASN 60 CO 0.30 0.09 1.74 -1.54 -2.79 0.00 0.00 177.10 174.91 1jkc n SER 61 N 1.94 0.00 0.09 -4.21 3.41 -0.23 -1.75 113.62 112.86 1jkc n SER 61 Ca -0.01 0.37 -0.13 0.00 -0.26 0.00 0.00 58.87 58.83 1jkc n SER 61 Cb 0.48 -0.45 -0.13 0.00 -0.26 0.00 0.00 64.21 63.85 1jkc n SER 61 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1jkc h ARG 62 N 0.00 0.19 0.00 4.33 2.43 -1.84 -3.42 114.38 116.07 1jkc h ARG 62 Ca 0.00 -0.33 -0.10 0.00 -0.81 0.00 0.00 59.98 58.74 1jkc h ARG 62 Cb 0.35 0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.00 1jkc h ARG 62 CO 0.00 1.16 -1.39 0.66 -1.51 0.00 0.00 179.97 178.89 1jkc n TYR 63 N -3.48 0.00 -0.10 2.20 4.01 -1.19 -0.75 117.16 117.85 1jkc n TYR 63 Ca -0.06 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.49 1jkc n TYR 63 Cb 1.00 -0.28 -0.07 0.00 -0.31 0.00 0.00 39.34 39.68 1jkc n TYR 63 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 1jkc n TRP 64 N -2.26 0.00 -4.39 -0.72 7.02 -0.72 -1.25 117.44 115.13 1jkc n TRP 64 Ca -0.09 0.00 -0.22 0.00 -1.02 0.00 0.00 57.50 56.16 1jkc n TRP 64 Cb 0.68 -0.71 -0.11 0.00 -2.42 0.00 0.00 31.31 28.76 1jkc n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1jkc s ASN 66 N -3.05 5.81 0.00 0.00 2.47 -0.06 -4.39 114.94 115.71 1jkc s ASN 66 Ca 0.22 0.07 0.04 0.00 0.42 0.00 0.00 52.86 53.61 1jkc s ASN 66 Cb -0.05 -2.03 0.06 0.00 -1.45 0.00 0.00 41.25 37.79 1jkc s ASN 66 CO 0.09 0.10 0.81 -0.90 -3.72 0.00 0.00 177.10 173.48 1jkc n ASP 67 N 4.02 1.72 0.00 -4.21 5.68 -1.26 -1.27 116.55 121.23 1jkc n ASP 67 Ca -0.16 -1.49 0.00 0.00 -0.50 0.00 0.00 54.79 52.65 1jkc n ASP 67 Cb 0.52 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.47 1jkc n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1jkc n GLY 68 N 0.09 1.59 0.39 6.12 0.00 -1.26 -4.73 105.19 107.39 1jkc n GLY 68 Ca 0.03 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.09 1jkc n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1jkc n LYS 69 N -1.90 2.37 -3.62 1.61 2.85 -1.26 -4.98 118.16 113.23 1jkc n LYS 69 Ca 0.00 -1.68 -0.37 0.00 -1.05 0.00 0.00 58.31 55.21 1jkc n LYS 69 Cb 0.00 -1.17 -0.10 0.00 -0.65 0.00 0.00 35.03 33.11 1jkc n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1jkc s THR 70 N -0.92 5.32 0.36 0.58 2.01 -1.26 -4.96 115.64 116.77 1jkc s THR 70 Ca 0.14 0.17 -0.28 0.00 0.31 0.00 0.00 61.69 62.02 1jkc s THR 70 Cb 0.07 -3.51 -0.11 0.00 0.01 0.00 0.00 72.50 68.96 1jkc s THR 70 CO 0.10 0.29 1.49 -2.65 -0.69 0.00 0.00 174.62 173.16 1jkc n PRO 71 N 4.73 2.65 -2.90 4.92 -0.02 -1.26 -2.91 135.00 140.20 1jkc n PRO 71 Ca -0.14 0.93 -0.21 0.00 -2.02 0.00 0.00 63.50 62.06 1jkc n PRO 71 Cb 0.52 -2.66 0.01 0.00 -0.02 0.00 0.00 33.50 31.35 1jkc n PRO 71 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jkc n GLY 72 N 0.76 -0.51 3.75 -1.23 0.00 -1.26 -4.91 105.19 101.79 1jkc n GLY 72 Ca 0.03 0.08 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 1jkc n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jkc s ALA 73 N -3.04 2.52 -0.08 4.61 0.00 -1.15 -4.87 121.76 119.75 1jkc s ALA 73 Ca 0.23 1.06 0.05 0.00 0.00 0.00 0.00 51.96 53.30 1jkc s ALA 73 Cb -0.11 -3.47 -0.09 0.00 0.00 0.00 0.00 23.12 19.45 1jkc s ALA 73 CO 0.28 -1.24 -0.01 0.28 0.00 0.00 0.00 175.76 175.07 1jkc n VAL 74 N -1.62 0.55 -3.66 0.00 0.31 0.07 -5.00 118.33 108.97 1jkc n VAL 74 Ca 0.14 -0.30 -0.22 0.00 -0.01 0.00 0.00 64.34 63.95 1jkc n VAL 74 Cb 0.49 -0.81 0.04 0.00 -0.91 0.00 0.00 33.84 32.65 1jkc n VAL 74 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1jkc n ASN 75 N -2.46 -2.16 0.26 4.52 5.15 -1.20 -4.90 115.26 114.48 1jkc n ASN 75 Ca -0.14 -0.84 0.09 0.00 -0.60 0.00 0.00 54.58 53.08 1jkc n ASN 75 Cb 0.73 -4.05 0.65 0.00 -0.53 0.00 0.00 39.78 36.58 1jkc n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1jkc h ALA 76 N 0.78 1.90 -0.00 5.20 0.00 -1.02 -1.13 119.26 124.98 1jkc h ALA 76 Ca -0.62 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.27 1jkc h ALA 76 Cb 1.35 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1jkc h ALA 76 CO 0.54 0.03 -0.27 0.00 0.00 0.00 0.00 179.25 179.56 1jkc n HIS 78 N -1.19 -1.93 -3.98 0.00 -0.00 -0.43 -4.98 115.22 102.70 1jkc n HIS 78 Ca 0.09 0.77 -0.10 0.00 -0.00 0.00 0.00 57.72 58.48 1jkc n HIS 78 Cb 0.32 -4.16 -0.12 0.00 -0.00 0.00 0.00 29.99 26.04 1jkc n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1jkc s LEU 79 N -6.55 2.19 0.28 2.41 1.43 -1.26 -5.07 118.68 112.11 1jkc s LEU 79 Ca 0.12 -0.41 -0.29 0.00 -1.03 0.00 0.00 54.13 52.52 1jkc s LEU 79 Cb -0.03 0.03 -0.09 0.00 0.03 0.00 0.00 46.19 46.12 1jkc s LEU 79 CO 0.82 -0.22 1.03 -0.55 0.23 0.00 0.00 176.35 177.66 1jkc s SER 80 N -1.18 7.35 0.65 2.29 0.15 -1.26 -0.88 113.70 120.82 1jkc s SER 80 Ca -0.12 2.12 0.42 0.00 0.70 0.00 0.00 55.95 59.07 1jkc s SER 80 Cb -0.08 -2.61 2.25 0.00 -1.71 0.00 0.00 66.02 63.86 1jkc s SER 80 CO -0.01 -0.07 2.31 0.00 1.20 0.00 0.00 173.24 176.68 1jkc h SER 82 N 0.00 0.74 0.01 0.00 0.87 -1.90 -1.29 113.55 111.97 1jkc h SER 82 Ca -0.00 -0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.55 1jkc h SER 82 Cb 0.08 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 61.87 1jkc h SER 82 CO 0.00 0.51 -0.00 0.00 -0.53 0.00 0.00 176.83 176.80 1jkc h ALA 83 N 1.59 1.48 -0.06 6.23 0.00 -1.60 -1.76 119.26 125.14 1jkc h ALA 83 Ca 0.29 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1jkc h ALA 83 Cb 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1jkc h ALA 83 CO -0.08 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.45 1jkc n LEU 84 N -3.79 0.86 -0.45 0.00 4.77 -0.48 -3.53 117.00 114.37 1jkc n LEU 84 Ca -0.03 -0.33 0.05 0.00 -0.03 0.00 0.00 56.01 55.66 1jkc n LEU 84 Cb 0.08 -0.04 0.13 0.00 -2.33 0.00 0.00 43.42 41.26 1jkc n LEU 84 CO 0.27 0.17 0.60 0.18 -1.33 0.00 0.00 177.39 177.28 1jkc n LEU 85 N -0.26 2.77 -4.88 2.23 4.77 -0.66 -3.50 117.00 117.47 1jkc n LEU 85 Ca 0.17 -2.25 -0.30 0.00 -0.03 0.00 0.00 56.01 53.60 1jkc n LEU 85 Cb 0.22 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 1jkc n LEU 85 CO 0.14 0.66 0.64 -1.10 -1.33 0.00 0.00 177.39 176.39 1jkc s GLN 86 N -1.44 3.63 0.24 3.23 -0.21 -1.23 -4.62 119.66 119.26 1jkc s GLN 86 Ca 0.20 0.63 0.04 0.00 0.02 0.00 0.00 55.36 56.25 1jkc s GLN 86 Cb 0.13 -2.17 0.27 0.00 1.00 0.00 0.00 33.01 32.24 1jkc s GLN 86 CO 0.09 -0.43 1.58 -0.44 -2.12 0.00 0.00 175.29 173.97 1jkc h ASP 87 N 0.00 0.30 -3.15 5.90 5.19 -1.93 -3.41 116.42 119.33 1jkc h ASP 87 Ca -0.45 -0.16 -0.58 0.00 -0.62 0.00 0.00 57.03 55.22 1jkc h ASP 87 Cb 1.19 -0.09 -0.06 0.00 0.18 0.00 0.00 39.33 40.56 1jkc h ASP 87 CO 0.62 0.81 0.83 0.21 -3.12 0.00 0.00 179.24 178.58 1jkc s ASN 88 N -6.89 7.03 -0.00 6.45 3.84 -1.26 -4.92 114.94 119.18 1jkc s ASN 88 Ca -0.04 1.28 0.13 0.00 0.21 0.00 0.00 52.86 54.44 1jkc s ASN 88 Cb 0.12 -2.54 0.37 0.00 -0.55 0.00 0.00 41.25 38.65 1jkc s ASN 88 CO 0.80 -0.75 1.30 2.30 -2.79 0.00 0.00 177.10 177.95 1jkc n ILE 89 N 5.53 0.59 -0.26 -5.21 -5.35 -1.26 -4.47 119.36 108.93 1jkc n ILE 89 Ca 0.12 -0.56 0.02 0.00 -0.27 0.00 0.00 62.75 62.06 1jkc n ILE 89 Cb 0.46 0.25 0.15 0.00 -1.74 0.00 0.00 39.64 38.77 1jkc n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1jkc h ALA 90 N 3.74 1.04 -0.34 -1.28 0.00 -1.94 0.56 119.26 121.04 1jkc h ALA 90 Ca 0.00 0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.81 1jkc h ALA 90 Cb 0.58 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1jkc h ALA 90 CO 0.01 -0.02 -0.38 -0.44 0.00 0.00 0.00 179.25 178.41 1jkc h ASP 91 N 0.64 0.86 -0.63 0.00 3.32 -1.86 -1.27 116.42 117.48 1jkc h ASP 91 Ca 0.37 -0.39 -0.03 0.00 0.02 0.00 0.00 57.03 57.00 1jkc h ASP 91 Cb 0.39 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.67 1jkc h ASP 91 CO -0.27 1.14 0.28 0.00 -1.72 0.00 0.00 179.24 178.67 1jkc h ALA 92 N 0.90 0.81 -0.47 3.45 0.00 -1.62 -1.12 119.26 121.21 1jkc h ALA 92 Ca 0.06 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 1jkc h ALA 92 Cb 0.95 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1jkc h ALA 92 CO 0.09 0.40 0.09 0.28 0.00 0.00 0.00 179.25 180.11 1jkc h VAL 93 N 0.87 1.24 -0.85 0.00 2.07 -0.75 0.10 116.25 118.93 1jkc h VAL 93 Ca 0.21 -0.89 -0.01 0.00 0.82 0.00 0.00 66.70 66.84 1jkc h VAL 93 Cb 0.16 0.91 -0.04 0.00 -1.52 0.00 0.00 31.29 30.79 1jkc h VAL 93 CO -0.02 0.31 0.49 0.00 0.02 0.00 0.00 177.57 178.37 1jkc h ALA 94 N 0.97 1.26 -0.17 1.67 0.00 -0.92 -0.29 119.26 121.77 1jkc h ALA 94 Ca 0.15 -0.11 -0.21 0.00 0.00 0.00 0.00 54.91 54.74 1jkc h ALA 94 Cb 0.37 -0.34 0.01 0.00 0.00 0.00 0.00 17.79 17.82 1jkc h ALA 94 CO 0.01 0.62 -0.72 0.00 0.00 0.00 0.00 179.25 179.15 1jkc h ALA 96 N 0.64 1.36 -0.59 0.00 0.00 -0.35 -0.40 119.26 119.92 1jkc h ALA 96 Ca -0.04 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.63 1jkc h ALA 96 Cb 1.34 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 1jkc h ALA 96 CO 0.15 0.47 0.02 0.87 0.00 0.00 0.00 179.25 180.77 1jkc h LYS 97 N 0.73 1.02 -0.54 0.00 1.57 -0.93 -2.30 116.57 116.12 1jkc h LYS 97 Ca 0.17 -0.30 -0.03 0.00 -1.87 0.00 0.00 60.65 58.63 1jkc h LYS 97 Cb 0.19 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 1jkc h LYS 97 CO -0.01 0.98 0.24 -0.09 -0.57 0.00 0.00 179.45 180.00 1jkc h ARG 98 N 0.94 0.79 -0.43 3.15 9.65 -0.68 -2.91 114.38 124.88 1jkc h ARG 98 Ca 0.17 -0.13 0.04 0.00 -1.10 0.00 0.00 59.98 58.97 1jkc h ARG 98 Cb 0.51 -0.13 -0.04 0.00 -1.39 0.00 0.00 29.97 28.91 1jkc h ARG 98 CO 0.02 0.67 0.19 0.28 2.80 0.00 0.00 179.97 183.93 1jkc h VAL 99 N 0.72 0.92 0.00 0.20 2.07 -0.73 -2.06 116.25 117.37 1jkc h VAL 99 Ca 0.18 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.57 1jkc h VAL 99 Cb 0.16 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 30.44 1jkc h VAL 99 CO -0.02 0.07 0.00 1.33 0.02 0.00 0.00 177.57 178.97 1jkc n VAL 100 N -4.96 0.00 1.16 2.57 0.24 -0.90 -2.54 118.33 113.90 1jkc n VAL 100 Ca 0.03 0.00 0.13 0.00 -2.04 0.00 0.00 64.34 62.46 1jkc n VAL 100 Cb 0.14 -0.44 0.46 0.00 -1.47 0.00 0.00 33.84 32.53 1jkc n VAL 100 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1jkc n ARG 101 N -0.89 0.32 -1.67 7.34 1.74 -0.77 -4.17 116.66 118.56 1jkc n ARG 101 Ca 0.17 -0.13 -0.30 0.00 -0.77 0.00 0.00 57.85 56.81 1jkc n ARG 101 Cb 0.08 -1.50 0.06 0.00 -1.02 0.00 0.00 32.46 30.08 1jkc n ARG 101 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1jkc s ASP 102 N -2.77 5.21 0.23 0.55 1.01 -1.05 -4.95 116.67 114.90 1jkc s ASP 102 Ca 0.19 1.38 -0.09 0.00 0.71 0.00 0.00 52.55 54.74 1jkc s ASP 102 Cb 0.19 -2.21 0.37 0.00 1.01 0.00 0.00 42.92 42.28 1jkc s ASP 102 CO 0.57 -1.52 1.65 -0.65 0.21 0.00 0.00 175.17 175.42 1jkc h PRO 103 N -0.78 0.11 -0.33 8.23 0.11 -1.89 -1.67 132.00 135.78 1jkc h PRO 103 Ca -0.45 -0.01 0.09 0.00 0.11 0.00 0.00 66.00 65.74 1jkc h PRO 103 Cb 1.24 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1jkc h PRO 103 CO 0.60 0.07 0.24 1.96 -0.21 0.00 0.00 178.00 180.65 1jkc h GLN 104 N 0.11 0.04 0.00 1.05 4.20 -1.92 -3.48 115.11 115.11 1jkc h GLN 104 Ca 0.37 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.08 1jkc h GLN 104 Cb 0.63 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.40 1jkc h GLN 104 CO -0.61 0.03 0.00 0.41 -0.67 0.00 0.00 178.83 177.99 1jkc n GLY 105 N -1.59 2.01 0.30 3.46 0.00 -0.63 -2.35 105.19 106.39 1jkc n GLY 105 Ca 0.05 -0.53 0.16 0.00 0.00 0.00 0.00 46.02 45.69 1jkc n GLY 105 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1jkc h ILE 106 N 0.00 0.43 0.00 -0.61 6.09 -1.91 -2.00 117.51 119.51 1jkc h ILE 106 Ca 0.00 -0.16 0.00 0.00 -1.37 0.00 0.00 64.86 63.33 1jkc h ILE 106 Cb 0.00 1.11 0.00 0.00 0.47 0.00 0.00 36.82 38.40 1jkc h ILE 106 CO 0.00 0.03 0.00 0.03 -3.07 0.00 0.00 178.15 175.14 1jkc h ARG 107 N 0.00 0.00 0.00 2.19 3.08 -1.87 -1.91 114.38 115.87 1jkc h ARG 107 Ca -0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 1jkc h ARG 107 Cb 0.10 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.15 1jkc h ARG 107 CO 0.00 0.00 -0.05 0.00 -1.07 0.00 0.00 179.97 178.85 1jkc h ALA 108 N 2.02 1.74 -2.13 0.04 0.00 -1.53 -3.37 119.26 116.02 1jkc h ALA 108 Ca 0.00 -0.05 -0.66 0.00 0.00 0.00 0.00 54.91 54.20 1jkc h ALA 108 Cb 0.03 -0.01 -0.16 0.00 0.00 0.00 0.00 17.79 17.65 1jkc h ALA 108 CO 0.00 0.07 0.13 -0.06 0.00 0.00 0.00 179.25 179.38 1jkc s PHE 109 N -4.78 3.04 0.29 0.00 0.08 -0.72 -4.94 117.98 110.95 1jkc s PHE 109 Ca -0.05 -0.22 0.01 0.00 0.12 0.00 0.00 56.93 56.79 1jkc s PHE 109 Cb 0.16 -3.45 0.52 0.00 -0.57 0.00 0.00 43.02 39.68 1jkc s PHE 109 CO 0.64 -0.96 1.89 0.28 -0.10 0.00 0.00 175.22 176.97 1jkc h VAL 110 N 5.88 1.04 -0.84 -0.44 2.07 -1.87 -0.76 116.25 121.33 1jkc h VAL 110 Ca -0.26 -0.36 0.14 0.00 0.82 0.00 0.00 66.70 67.05 1jkc h VAL 110 Cb 1.09 -0.09 -0.06 0.00 -1.52 0.00 0.00 31.29 30.71 1jkc h VAL 110 CO 0.93 0.19 0.55 0.00 0.02 0.00 0.00 177.57 179.26 1jkc h ALA 111 N 1.51 1.93 -0.61 1.67 0.00 -1.94 -0.51 119.26 121.30 1jkc h ALA 111 Ca 0.41 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.24 1jkc h ALA 111 Cb 0.25 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1jkc h ALA 111 CO -0.17 -0.15 0.01 2.35 0.00 0.00 0.00 179.25 181.29 1jkc h TRP 112 N 0.60 1.15 -0.49 0.00 7.01 -1.46 -0.61 115.95 122.16 1jkc h TRP 112 Ca 0.42 -0.19 -0.03 0.00 2.11 0.00 0.00 58.89 61.19 1jkc h TRP 112 Cb 0.75 -0.30 -0.02 0.00 -2.10 0.00 0.00 29.16 27.49 1jkc h TRP 112 CO -0.00 1.01 0.18 0.00 -2.79 0.00 0.00 178.44 176.83 1jkc h ARG 113 N 0.97 0.74 -0.27 2.65 -0.00 -1.08 -0.25 114.38 117.14 1jkc h ARG 113 Ca 0.18 -0.14 -0.18 0.00 -0.50 0.00 0.00 59.98 59.33 1jkc h ARG 113 Cb 0.54 -0.11 -0.00 0.00 0.00 0.00 0.00 29.97 30.40 1jkc h ARG 113 CO 0.03 0.68 -0.55 -0.91 0.00 0.00 0.00 179.97 179.21 1jkc h ASN 114 N 0.65 0.92 0.00 7.04 2.35 -1.07 -3.36 115.58 122.11 1jkc h ASN 114 Ca 0.16 -0.50 0.00 0.00 -0.55 0.00 0.00 56.30 55.41 1jkc h ASN 114 Cb 0.23 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.33 1jkc h ASN 114 CO -0.01 1.28 -1.08 0.54 -1.65 0.00 0.00 177.43 176.52 1jkc n ARG 115 N -4.00 1.67 -0.01 0.81 5.12 -0.25 -4.87 116.66 115.13 1jkc n ARG 115 Ca -0.04 -0.06 -0.02 0.00 -1.93 0.00 0.00 57.85 55.80 1jkc n ARG 115 Cb 0.63 -1.14 -0.01 0.00 -1.16 0.00 0.00 32.46 30.78 1jkc n ARG 115 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1jkc n GLN 117 N -2.75 1.87 -1.82 0.00 7.27 -0.27 -1.93 117.38 119.75 1jkc n GLN 117 Ca -0.04 0.67 -0.18 0.00 0.07 0.00 0.00 57.00 57.52 1jkc n GLN 117 Cb 0.54 -2.30 -0.05 0.00 2.41 0.00 0.00 30.24 30.83 1jkc n GLN 117 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1jkc n ASN 118 N 2.26 -5.20 -4.45 1.69 5.03 -1.26 -4.98 115.26 108.34 1jkc n ASN 118 Ca 0.13 0.28 -0.23 0.00 0.87 0.00 0.00 54.58 55.63 1jkc n ASN 118 Cb 0.30 -4.28 -0.10 0.00 -1.02 0.00 0.00 39.78 34.67 1jkc n ASN 118 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1jkc s ARG 119 N -4.03 1.61 -0.45 3.52 0.52 -0.81 -5.08 118.95 114.23 1jkc s ARG 119 Ca 0.00 -1.78 -0.29 0.00 -0.52 0.00 0.00 55.73 53.14 1jkc s ARG 119 Cb 0.00 -1.43 0.02 0.00 0.52 0.00 0.00 34.95 34.06 1jkc s ARG 119 CO 0.00 0.16 1.19 0.34 0.02 0.00 0.00 175.30 177.01 1jkc s ASP 120 N -3.48 6.61 0.00 0.23 -1.08 -1.26 -4.88 116.67 112.81 1jkc s ASP 120 Ca 0.29 0.61 0.13 0.00 -0.52 0.00 0.00 52.55 53.07 1jkc s ASP 120 Cb 0.01 -2.55 0.27 0.00 -1.46 0.00 0.00 42.92 39.19 1jkc s ASP 120 CO 0.13 -1.25 1.17 1.33 0.52 0.00 0.00 175.17 177.07 1jkc n VAL 121 N 6.78 0.63 -0.13 1.11 0.24 -1.26 -4.65 118.33 121.05 1jkc n VAL 121 Ca 0.13 -0.81 0.10 0.00 -2.04 0.00 0.00 64.34 61.71 1jkc n VAL 121 Cb 0.49 0.79 0.44 0.00 -1.47 0.00 0.00 33.84 34.08 1jkc n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1jkc h ARG 122 N 2.55 0.54 -1.10 7.34 -0.00 -1.92 -2.31 114.38 119.48 1jkc h ARG 122 Ca 0.00 -0.03 0.31 0.00 -0.50 0.00 0.00 59.98 59.75 1jkc h ARG 122 Cb 0.70 -0.12 -0.06 0.00 0.00 0.00 0.00 29.97 30.49 1jkc h ARG 122 CO 0.00 0.36 0.76 -0.56 0.00 0.00 0.00 179.97 180.53 1jkc h GLN 123 N 0.56 0.12 0.00 0.04 3.07 -1.97 -1.47 115.11 115.46 1jkc h GLN 123 Ca 0.30 -0.01 -0.06 0.00 0.09 0.00 0.00 58.65 58.97 1jkc h GLN 123 Cb 0.44 -0.03 -0.01 0.00 0.08 0.00 0.00 27.48 27.96 1jkc h GLN 123 CO -0.10 0.08 -0.29 1.88 0.09 0.00 0.00 178.83 180.49 1jkc h TYR 124 N 0.13 0.00 -0.01 0.06 0.05 -1.76 -3.23 116.97 112.21 1jkc h TYR 124 Ca 0.55 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.33 1jkc h TYR 124 Cb 1.94 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.68 1jkc h TYR 124 CO -0.00 0.29 -0.21 1.33 -1.05 0.00 0.00 178.16 178.52 1jkc n VAL 125 N -3.68 0.00 -1.86 -2.88 0.24 -0.59 -4.85 118.33 104.70 1jkc n VAL 125 Ca -0.01 -0.39 -0.42 0.00 -2.04 0.00 0.00 64.34 61.48 1jkc n VAL 125 Cb 0.40 1.11 -0.03 0.00 -1.47 0.00 0.00 33.84 33.85 1jkc n VAL 125 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1jkc s GLN 126 N -1.35 4.18 0.00 7.34 -1.52 -0.95 -2.32 119.66 125.04 1jkc s GLN 126 Ca 0.08 2.46 0.00 0.00 -1.95 0.00 0.00 55.36 55.95 1jkc s GLN 126 Cb 0.08 -3.11 0.00 0.00 -0.22 0.00 0.00 33.01 29.76 1jkc s GLN 126 CO 0.25 -0.63 0.00 0.41 -0.25 0.00 0.00 175.29 175.07 1jkc n GLY 127 N 3.40 1.61 0.02 3.09 0.00 -1.26 -4.92 105.19 107.13 1jkc n GLY 127 Ca 0.13 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.28 1jkc n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jkc n GLY 129 N 1.44 0.03 0.09 0.00 0.00 -1.26 -4.83 105.19 100.66 1jkc n GLY 129 Ca 0.09 -0.35 0.01 0.00 0.00 0.00 0.00 46.02 45.76 1jkc n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65