#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jsf s VAL 2 N 0.00 4.82 0.54 3.15 1.01 -1.26 -1.40 120.40 127.25 1jsf s VAL 2 Ca 0.00 -0.68 -0.18 0.00 0.00 0.00 0.00 61.98 61.12 1jsf s VAL 2 Cb 0.00 -3.63 -0.06 0.00 0.00 0.00 0.00 36.38 32.69 1jsf s VAL 2 CO 0.00 -0.18 1.06 -0.36 0.00 0.00 0.00 175.10 175.62 1jsf s PHE 3 N 1.61 2.92 0.40 5.22 0.40 -0.21 -5.01 117.98 123.31 1jsf s PHE 3 Ca 0.04 1.55 -0.17 0.00 -0.60 0.00 0.00 56.93 57.74 1jsf s PHE 3 Cb -0.19 -3.09 -0.09 0.00 0.51 0.00 0.00 43.02 40.16 1jsf s PHE 3 CO 0.08 -1.10 0.86 -1.21 0.70 0.00 0.00 175.22 174.55 1jsf s GLU 4 N -3.55 4.06 0.12 0.44 2.02 -1.26 -4.86 118.70 115.67 1jsf s GLU 4 Ca 0.67 0.87 -0.31 0.00 0.02 0.00 0.00 54.97 56.22 1jsf s GLU 4 Cb -0.18 -2.28 -0.09 0.00 0.10 0.00 0.00 34.13 31.68 1jsf s GLU 4 CO 0.28 -0.00 1.58 -0.09 0.02 0.00 0.00 175.26 177.04 1jsf h ARG 5 N 1.81 -0.56 0.00 1.61 2.43 -1.96 -1.27 114.38 116.44 1jsf h ARG 5 Ca -0.48 0.04 -0.11 0.00 -0.81 0.00 0.00 59.98 58.61 1jsf h ARG 5 Cb 1.18 0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.84 1jsf h ARG 5 CO 0.63 -0.37 -0.55 0.00 -1.51 0.00 0.00 179.97 178.17 1jsf h GLU 7 N 0.00 0.61 -0.45 0.00 4.81 -1.87 -1.08 114.58 116.59 1jsf h GLU 7 Ca -0.01 -0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 59.08 1jsf h GLU 7 Cb 1.14 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.37 1jsf h GLU 7 CO 0.07 0.41 -0.13 1.25 -0.73 0.00 0.00 179.01 179.88 1jsf h LEU 8 N 0.63 0.90 -0.54 1.64 5.85 -0.86 -1.85 115.31 121.08 1jsf h LEU 8 Ca 0.23 -0.37 0.04 0.00 0.84 0.00 0.00 57.88 58.62 1jsf h LEU 8 Cb 0.07 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 40.81 1jsf h LEU 8 CO -0.12 1.06 0.29 0.00 -0.34 0.00 0.00 178.44 179.33 1jsf h ALA 9 N 0.87 0.69 -0.30 1.25 0.00 -1.02 0.38 119.26 121.13 1jsf h ALA 9 Ca 0.11 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 1jsf h ALA 9 Cb 0.68 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1jsf h ALA 9 CO 0.05 -0.03 -0.31 0.00 0.00 0.00 0.00 179.25 178.96 1jsf h ARG 10 N 0.57 0.62 -0.27 0.00 3.08 -1.12 -1.59 114.38 115.67 1jsf h ARG 10 Ca 0.23 -0.27 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 1jsf h ARG 10 Cb 0.10 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 1jsf h ARG 10 CO -0.14 0.85 0.12 1.15 -1.07 0.00 0.00 179.97 180.89 1jsf h THR 11 N 0.53 1.16 -0.70 2.04 2.02 -0.76 -1.46 112.91 115.74 1jsf h THR 11 Ca 0.06 -0.48 -0.04 0.00 0.77 0.00 0.00 66.41 66.72 1jsf h THR 11 Cb 0.79 0.98 -0.03 0.00 -1.74 0.00 0.00 68.15 68.15 1jsf h THR 11 CO 0.06 0.17 0.28 -0.07 0.37 0.00 0.00 175.52 176.33 1jsf h LEU 12 N 0.30 0.95 -0.51 2.58 3.38 -0.83 -1.88 115.31 119.30 1jsf h LEU 12 Ca 0.09 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 1jsf h LEU 12 Cb 0.15 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1jsf h LEU 12 CO -0.01 0.84 0.15 0.50 0.09 0.00 0.00 178.44 180.01 1jsf h LYS 13 N 1.01 0.81 0.00 1.13 3.64 -1.04 -2.17 116.57 119.96 1jsf h LYS 13 Ca 0.24 -0.18 -0.04 0.00 -1.27 0.00 0.00 60.65 59.39 1jsf h LYS 13 Cb 0.19 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 1jsf h LYS 13 CO -0.02 0.76 -0.21 0.00 -2.27 0.00 0.00 179.45 177.71 1jsf h ARG 14 N 0.70 0.00 -0.19 1.90 3.08 -0.92 -2.09 114.38 116.86 1jsf h ARG 14 Ca 0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.21 1jsf h ARG 14 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.35 1jsf h ARG 14 CO -0.00 0.21 0.00 1.28 -1.07 0.00 0.00 179.97 180.39 1jsf n LEU 15 N -4.07 1.27 0.00 3.04 4.77 -0.74 -4.92 117.00 116.35 1jsf n LEU 15 Ca -0.02 -0.59 0.00 0.00 -0.03 0.00 0.00 56.01 55.36 1jsf n LEU 15 Cb 0.28 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 1jsf n LEU 15 CO 0.35 0.30 0.00 0.61 -1.33 0.00 0.00 177.39 177.32 1jsf n GLY 16 N 0.96 0.48 0.17 -0.72 0.00 -0.78 -4.98 105.19 100.32 1jsf n GLY 16 Ca 0.11 -0.92 0.08 0.00 0.00 0.00 0.00 46.02 45.30 1jsf n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1jsf h MET 17 N 0.00 0.00 -6.31 1.61 2.86 -1.58 -3.40 114.93 108.11 1jsf h MET 17 Ca 0.00 0.00 -0.57 0.00 -2.06 0.00 0.00 59.70 57.07 1jsf h MET 17 Cb 0.27 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.90 1jsf h MET 17 CO 0.00 0.16 1.19 0.34 1.06 0.00 0.00 176.91 179.66 1jsf s ASP 18 N -6.13 6.15 0.00 1.22 2.15 -1.26 -2.19 116.67 116.61 1jsf s ASP 18 Ca 0.04 1.40 0.00 0.00 0.43 0.00 0.00 52.55 54.42 1jsf s ASP 18 Cb 0.07 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.16 1jsf s ASP 18 CO 0.72 -1.48 0.00 0.61 -0.17 0.00 0.00 175.17 174.85 1jsf n GLY 19 N 5.06 0.65 3.68 2.66 0.00 0.40 -4.92 105.19 112.73 1jsf n GLY 19 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 1jsf n GLY 19 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1jsf s TYR 20 N -2.37 2.32 -1.30 1.61 5.04 -0.93 -1.44 117.35 120.29 1jsf s TYR 20 Ca 0.00 0.32 -0.07 0.00 -2.44 0.00 0.00 57.07 54.88 1jsf s TYR 20 Cb 0.00 -3.93 0.05 0.00 0.35 0.00 0.00 41.96 38.43 1jsf s TYR 20 CO 0.00 -3.75 0.44 0.54 -1.34 0.00 0.00 175.55 171.44 1jsf n ARG 21 N 6.02 -3.51 -0.92 4.97 5.12 -1.26 -1.65 116.66 125.42 1jsf n ARG 21 Ca 0.16 0.57 0.00 0.00 -1.93 0.00 0.00 57.85 56.65 1jsf n ARG 21 Cb 0.41 -5.29 0.00 0.00 -1.16 0.00 0.00 32.46 26.42 1jsf n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1jsf n GLY 22 N -1.18 0.65 3.55 -0.13 0.00 -0.52 -5.02 105.19 102.53 1jsf n GLY 22 Ca -0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.58 1jsf n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jsf s ILE 23 N -2.47 5.21 0.69 -0.61 1.01 -0.66 -4.88 121.20 119.50 1jsf s ILE 23 Ca 0.00 -0.01 -0.13 0.00 0.00 0.00 0.00 60.65 60.51 1jsf s ILE 23 Cb 0.00 -3.55 0.02 0.00 0.01 0.00 0.00 42.46 38.93 1jsf s ILE 23 CO 0.00 0.16 1.09 -0.94 0.00 0.00 0.00 174.94 175.25 1jsf s SER 24 N 1.73 5.00 0.30 3.58 1.04 -1.26 -0.45 113.70 123.64 1jsf s SER 24 Ca 0.07 1.88 0.01 0.00 0.48 0.00 0.00 55.95 58.38 1jsf s SER 24 Cb -0.16 -2.53 0.55 0.00 0.10 0.00 0.00 66.02 63.97 1jsf s SER 24 CO 0.10 -1.70 1.89 0.25 0.98 0.00 0.00 173.24 174.76 1jsf h LEU 25 N -0.41 0.91 -1.19 2.42 5.85 -1.92 -1.40 115.31 119.57 1jsf h LEU 25 Ca -0.45 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.28 1jsf h LEU 25 Cb 1.23 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 42.06 1jsf h LEU 25 CO 0.54 0.55 0.38 0.00 -0.34 0.00 0.00 178.44 179.57 1jsf h ALA 26 N 1.52 1.39 -0.55 1.25 0.00 -1.91 0.10 119.26 121.05 1jsf h ALA 26 Ca 0.43 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 55.13 1jsf h ALA 26 Cb 0.31 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1jsf h ALA 26 CO -0.18 0.51 -0.08 -0.91 0.00 0.00 0.00 179.25 178.58 1jsf h ASN 27 N 0.95 1.02 -0.64 0.00 2.35 -1.58 -0.65 115.58 117.03 1jsf h ASN 27 Ca 0.24 -0.33 -0.07 0.00 -0.55 0.00 0.00 56.30 55.60 1jsf h ASN 27 Cb 0.01 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.08 1jsf h ASN 27 CO -0.04 1.12 0.13 -0.50 -1.65 0.00 0.00 177.43 176.49 1jsf h TRP 28 N 0.92 1.11 -0.47 1.19 4.06 -0.97 -1.61 115.95 120.19 1jsf h TRP 28 Ca 0.15 -0.14 -0.05 0.00 2.06 0.00 0.00 58.89 60.91 1jsf h TRP 28 Cb 0.65 -0.31 -0.02 0.00 -1.00 0.00 0.00 29.16 28.47 1jsf h TRP 28 CO 0.04 0.92 0.11 0.52 -3.56 0.00 0.00 178.44 176.48 1jsf h MET 29 N 1.00 0.74 -0.86 0.49 2.86 -0.82 -1.43 114.93 116.92 1jsf h MET 29 Ca 0.20 -0.18 -0.03 0.00 -2.06 0.00 0.00 59.70 57.63 1jsf h MET 29 Cb 0.39 -0.10 -0.04 0.00 0.06 0.00 0.00 31.60 31.92 1jsf h MET 29 CO 0.01 0.73 0.42 0.00 1.06 0.00 0.00 176.91 179.13 1jsf h LEU 31 N 1.22 -0.25 -0.83 0.00 5.85 -1.06 -2.44 115.31 117.80 1jsf h LEU 31 Ca 0.30 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.98 1jsf h LEU 31 Cb 0.11 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 1jsf h LEU 31 CO -0.04 -0.16 0.26 0.00 -0.34 0.00 0.00 178.44 178.16 1jsf h ALA 32 N 0.62 1.06 0.10 1.25 0.00 -0.96 -0.26 119.26 121.07 1jsf h ALA 32 Ca -0.01 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.70 1jsf h ALA 32 Cb 0.21 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1jsf h ALA 32 CO -0.00 0.65 -0.14 -0.22 0.00 0.00 0.00 179.25 179.54 1jsf h LYS 33 N 1.09 -0.28 0.00 0.00 3.11 -0.87 -2.01 116.57 117.61 1jsf h LYS 33 Ca 0.24 0.02 -0.09 0.00 -2.81 0.00 0.00 60.65 58.01 1jsf h LYS 33 Cb 0.26 0.06 -0.01 0.00 -1.00 0.00 0.00 32.23 31.54 1jsf h LYS 33 CO -0.01 -0.18 -0.43 -1.49 -2.81 0.00 0.00 179.45 174.52 1jsf h TRP 34 N -0.29 0.00 0.02 1.91 4.06 -1.24 -0.84 115.95 119.58 1jsf h TRP 34 Ca 0.02 0.00 -0.18 0.00 2.06 0.00 0.00 58.89 60.78 1jsf h TRP 34 Cb 0.29 0.00 0.02 0.00 -1.00 0.00 0.00 29.16 28.47 1jsf h TRP 34 CO -0.15 0.43 -0.73 0.93 -3.56 0.00 0.00 178.44 175.37 1jsf h GLU 35 N 0.00 0.45 0.00 0.49 4.39 -0.97 -3.43 114.58 115.51 1jsf h GLU 35 Ca -0.00 -0.52 0.00 0.00 0.34 0.00 0.00 59.36 59.18 1jsf h GLU 35 Cb 1.23 0.15 0.00 0.00 -0.10 0.00 0.00 28.75 30.04 1jsf h GLU 35 CO 0.06 1.17 0.00 -1.13 -1.16 0.00 0.00 179.01 177.94 1jsf n SER 36 N -4.13 0.06 -2.13 1.42 3.41 -0.78 -4.86 113.62 106.61 1jsf n SER 36 Ca -0.11 -0.52 -0.18 0.00 -0.26 0.00 0.00 58.87 57.80 1jsf n SER 36 Cb 0.74 0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.76 1jsf n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jsf n GLY 37 N 0.07 -0.34 2.25 5.00 0.00 -0.32 -2.71 105.19 109.14 1jsf n GLY 37 Ca 0.00 -0.12 -0.12 0.00 0.00 0.00 0.00 46.02 45.78 1jsf n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1jsf n TYR 38 N -4.09 -0.63 -3.89 1.61 4.01 -1.20 -4.78 117.16 108.19 1jsf n TYR 38 Ca -0.18 0.02 -0.35 0.00 -0.16 0.00 0.00 57.90 57.23 1jsf n TYR 38 Cb 0.64 -2.78 -0.14 0.00 -0.31 0.00 0.00 39.34 36.76 1jsf n TYR 38 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1jsf s ASN 39 N -2.47 4.59 0.53 7.72 2.47 -1.10 -1.04 114.94 125.62 1jsf s ASN 39 Ca 0.01 -0.75 0.30 0.00 0.42 0.00 0.00 52.86 52.84 1jsf s ASN 39 Cb -0.01 -1.75 1.41 0.00 -1.45 0.00 0.00 41.25 39.46 1jsf s ASN 39 CO 0.02 -0.13 2.03 0.71 -3.72 0.00 0.00 177.10 176.00 1jsf h THR 40 N 5.99 0.37 -0.01 -5.21 1.35 -1.56 -3.06 112.91 110.78 1jsf h THR 40 Ca -0.33 -0.61 0.00 0.00 -0.55 0.00 0.00 66.41 64.91 1jsf h THR 40 Cb 1.12 1.45 0.00 0.00 -1.73 0.00 0.00 68.15 68.99 1jsf h THR 40 CO 0.59 0.10 -0.11 -2.11 -0.25 0.00 0.00 175.52 173.74 1jsf n ARG 41 N -3.39 1.36 -1.76 4.72 -4.01 -1.26 -4.18 116.66 108.14 1jsf n ARG 41 Ca -0.01 -0.81 -0.42 0.00 -1.04 0.00 0.00 57.85 55.57 1jsf n ARG 41 Cb 0.28 -1.48 -0.02 0.00 -3.04 0.00 0.00 32.46 28.20 1jsf n ARG 41 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1jsf s ALA 42 N -2.20 3.85 0.02 2.89 0.00 -1.16 -4.79 121.76 120.37 1jsf s ALA 42 Ca 0.32 1.57 0.01 0.00 0.00 0.00 0.00 51.96 53.86 1jsf s ALA 42 Cb 0.20 -3.67 -0.02 0.00 0.00 0.00 0.00 23.12 19.63 1jsf s ALA 42 CO 0.41 -0.94 -0.05 0.95 0.00 0.00 0.00 175.76 176.13 1jsf s THR 43 N 0.66 0.31 -0.07 0.00 -4.23 -1.26 -0.37 115.64 110.68 1jsf s THR 43 Ca 0.70 -0.79 -0.03 0.00 -1.18 0.00 0.00 61.69 60.39 1jsf s THR 43 Cb -0.49 -0.39 0.04 0.00 1.34 0.00 0.00 72.50 73.01 1jsf s THR 43 CO 0.39 -0.32 0.10 0.21 -0.54 0.00 0.00 174.62 174.46 1jsf s ASN 44 N -1.18 1.10 -0.06 3.99 2.47 -0.56 -4.98 114.94 115.72 1jsf s ASN 44 Ca -0.10 0.11 -0.22 0.00 0.42 0.00 0.00 52.86 53.07 1jsf s ASN 44 Cb -0.08 0.01 -0.04 0.00 -1.45 0.00 0.00 41.25 39.69 1jsf s ASN 44 CO -0.00 -0.26 0.66 -0.47 -3.72 0.00 0.00 177.10 173.31 1jsf s TYR 45 N 2.22 3.59 -0.60 0.43 5.04 -1.26 -0.79 117.35 125.97 1jsf s TYR 45 Ca 0.04 1.20 -0.13 0.00 -2.44 0.00 0.00 57.07 55.75 1jsf s TYR 45 Cb -0.12 -2.75 0.15 0.00 0.35 0.00 0.00 41.96 39.59 1jsf s TYR 45 CO -0.05 0.14 0.52 -0.80 -1.34 0.00 0.00 175.55 174.02 1jsf s ASN 46 N 0.63 6.14 0.47 4.32 0.01 0.28 -4.94 114.94 121.86 1jsf s ASN 46 Ca 0.35 -2.13 0.14 0.00 -0.71 0.00 0.00 52.86 50.51 1jsf s ASN 46 Cb -0.18 -2.13 1.12 0.00 0.41 0.00 0.00 41.25 40.47 1jsf s ASN 46 CO 0.17 -0.71 2.07 0.00 -1.51 0.00 0.00 177.10 177.13 1jsf h ALA 47 N 8.36 1.97 -0.56 0.60 0.00 -1.96 0.26 119.26 127.93 1jsf h ALA 47 Ca -0.15 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 1jsf h ALA 47 Cb 1.07 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 1jsf h ALA 47 CO 0.90 -0.02 0.25 0.78 0.00 0.00 0.00 179.25 181.15 1jsf h GLY 48 N 0.25 0.88 -0.20 0.00 0.00 -1.95 -3.31 103.07 98.74 1jsf h GLY 48 Ca 0.13 -0.46 0.00 0.00 0.00 0.00 0.00 47.33 47.00 1jsf h GLY 48 CO -0.02 0.43 0.00 2.09 0.00 0.00 0.00 176.54 179.04 1jsf n ASP 49 N -4.53 1.68 -0.90 0.19 5.75 -1.12 -5.00 116.55 112.62 1jsf n ASP 49 Ca 0.03 -1.55 -0.11 0.00 -0.01 0.00 0.00 54.79 53.15 1jsf n ASP 49 Cb 0.14 -0.02 -0.04 0.00 -1.03 0.00 0.00 41.12 40.16 1jsf n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1jsf n ARG 50 N -0.10 -0.79 -3.89 0.11 1.74 0.06 -4.78 116.66 109.02 1jsf n ARG 50 Ca 0.02 0.85 -0.21 0.00 -0.77 0.00 0.00 57.85 57.74 1jsf n ARG 50 Cb 0.17 -4.84 -0.03 0.00 -1.02 0.00 0.00 32.46 26.73 1jsf n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1jsf s SER 51 N -2.84 5.54 0.03 0.55 1.04 -1.19 -4.52 113.70 112.30 1jsf s SER 51 Ca 0.00 -0.33 0.06 0.00 0.48 0.00 0.00 55.95 56.16 1jsf s SER 51 Cb 0.00 -1.22 -0.02 0.00 0.10 0.00 0.00 66.02 64.88 1jsf s SER 51 CO 0.00 -0.23 -0.17 -0.89 0.98 0.00 0.00 173.24 172.93 1jsf s THR 52 N -2.20 1.36 -0.18 2.02 2.01 -1.26 -0.55 115.64 116.83 1jsf s THR 52 Ca 0.38 -1.01 -0.09 0.00 0.31 0.00 0.00 61.69 61.28 1jsf s THR 52 Cb -0.07 -1.19 -0.05 0.00 0.01 0.00 0.00 72.50 71.21 1jsf s THR 52 CO 0.27 0.15 0.11 -1.81 -0.69 0.00 0.00 174.62 172.65 1jsf s ASP 53 N -1.00 6.09 -0.05 3.53 1.01 0.03 -1.00 116.67 125.28 1jsf s ASP 53 Ca 0.05 0.24 0.06 0.00 0.71 0.00 0.00 52.55 53.60 1jsf s ASP 53 Cb -0.08 -2.04 -0.01 0.00 1.01 0.00 0.00 42.92 41.80 1jsf s ASP 53 CO 0.01 0.22 -0.23 -0.31 0.21 0.00 0.00 175.17 175.07 1jsf s TYR 54 N 0.08 2.23 0.00 4.23 1.51 0.03 -1.50 117.35 123.94 1jsf s TYR 54 Ca 0.08 -0.62 0.00 0.00 -1.01 0.00 0.00 57.07 55.52 1jsf s TYR 54 Cb -0.11 -1.47 0.00 0.00 -0.11 0.00 0.00 41.96 40.27 1jsf s TYR 54 CO -0.00 -0.18 0.00 0.41 -1.11 0.00 0.00 175.55 174.67 1jsf n GLY 55 N 2.91 -1.71 0.23 0.71 0.00 0.50 -1.79 105.19 106.03 1jsf n GLY 55 Ca -0.17 -1.35 0.05 0.00 0.00 0.00 0.00 46.02 44.55 1jsf n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1jsf h ILE 56 N 0.00 1.13 -0.29 -0.61 2.10 -1.72 -1.64 117.51 116.47 1jsf h ILE 56 Ca 0.00 -0.60 0.00 0.00 1.08 0.00 0.00 64.86 65.34 1jsf h ILE 56 Cb 0.00 1.30 0.00 0.00 -1.09 0.00 0.00 36.82 37.03 1jsf h ILE 56 CO 0.00 0.17 0.00 0.49 -1.08 0.00 0.00 178.15 177.73 1jsf n PHE 57 N -4.33 0.37 -3.63 2.19 3.72 -1.26 -4.09 117.46 110.42 1jsf n PHE 57 Ca -0.02 -0.24 -0.25 0.00 -0.05 0.00 0.00 57.45 56.88 1jsf n PHE 57 Cb 0.24 -0.01 0.04 0.00 -0.94 0.00 0.00 39.48 38.81 1jsf n PHE 57 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1jsf n GLN 58 N 1.12 -2.65 -2.86 -1.08 1.13 -0.62 -4.92 117.38 107.50 1jsf n GLN 58 Ca 0.15 0.57 -0.41 0.00 -1.94 0.00 0.00 57.00 55.37 1jsf n GLN 58 Cb 0.50 -4.77 -0.04 0.00 0.11 0.00 0.00 30.24 26.05 1jsf n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1jsf s ILE 59 N -3.55 4.85 0.21 5.09 1.01 -0.74 -4.45 121.20 123.61 1jsf s ILE 59 Ca 0.30 1.81 -0.22 0.00 0.00 0.00 0.00 60.65 62.53 1jsf s ILE 59 Cb -0.09 -4.20 -0.08 0.00 0.01 0.00 0.00 42.46 38.10 1jsf s ILE 59 CO 0.83 0.24 0.75 0.21 0.00 0.00 0.00 174.94 176.97 1jsf s ASN 60 N 0.62 7.17 0.00 3.58 3.84 -1.26 -0.79 114.94 128.10 1jsf s ASN 60 Ca 0.45 1.50 0.30 0.00 0.21 0.00 0.00 52.86 55.32 1jsf s ASN 60 Cb -0.20 -2.45 1.48 0.00 -0.55 0.00 0.00 41.25 39.52 1jsf s ASN 60 CO 0.24 0.08 2.01 -1.54 -2.79 0.00 0.00 177.10 175.10 1jsf n SER 61 N 0.99 0.25 0.11 -4.21 3.41 -0.17 -2.00 113.62 112.00 1jsf n SER 61 Ca -0.03 -0.57 -0.23 0.00 -0.26 0.00 0.00 58.87 57.78 1jsf n SER 61 Cb 0.50 -0.13 -0.15 0.00 -0.26 0.00 0.00 64.21 64.18 1jsf n SER 61 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1jsf h ARG 62 N 0.33 0.51 0.00 4.33 2.43 -1.84 -3.42 114.38 116.72 1jsf h ARG 62 Ca 0.00 -0.81 -0.15 0.00 -0.81 0.00 0.00 59.98 58.21 1jsf h ARG 62 Cb 0.26 0.29 -0.03 0.00 -0.42 0.00 0.00 29.97 30.07 1jsf h ARG 62 CO 0.00 1.38 -1.81 0.66 -1.51 0.00 0.00 179.97 178.69 1jsf n TYR 63 N -3.84 0.00 -0.04 2.20 4.01 -1.22 -1.45 117.16 116.82 1jsf n TYR 63 Ca -0.16 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.51 1jsf n TYR 63 Cb 1.01 -0.53 -0.03 0.00 -0.31 0.00 0.00 39.34 39.49 1jsf n TYR 63 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 1jsf n TRP 64 N -2.30 0.00 -4.44 -0.72 7.02 -0.84 -1.85 117.44 114.31 1jsf n TRP 64 Ca -0.14 0.00 -0.23 0.00 -1.02 0.00 0.00 57.50 56.10 1jsf n TRP 64 Cb 0.72 -0.26 -0.10 0.00 -2.42 0.00 0.00 31.31 29.25 1jsf n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1jsf s ASN 66 N -3.34 5.78 0.00 0.00 2.47 -0.32 -4.40 114.94 115.13 1jsf s ASN 66 Ca 0.27 0.06 0.05 0.00 0.42 0.00 0.00 52.86 53.67 1jsf s ASN 66 Cb -0.05 -2.02 0.05 0.00 -1.45 0.00 0.00 41.25 37.78 1jsf s ASN 66 CO 0.13 0.10 0.71 -0.90 -3.72 0.00 0.00 177.10 173.42 1jsf n ASP 67 N 4.01 1.53 0.00 -4.21 5.68 -1.26 -1.19 116.55 121.11 1jsf n ASP 67 Ca -0.16 -1.28 0.00 0.00 -0.50 0.00 0.00 54.79 52.85 1jsf n ASP 67 Cb 0.52 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.49 1jsf n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1jsf n GLY 68 N 0.29 2.85 0.53 6.12 0.00 -1.26 -4.76 105.19 108.96 1jsf n GLY 68 Ca 0.03 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.11 1jsf n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1jsf n LYS 69 N -1.37 1.88 -3.66 1.61 2.85 -1.26 -4.95 118.16 113.25 1jsf n LYS 69 Ca 0.00 -1.65 -0.37 0.00 -1.05 0.00 0.00 58.31 55.24 1jsf n LYS 69 Cb 0.00 -1.23 -0.10 0.00 -0.65 0.00 0.00 35.03 33.04 1jsf n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1jsf s THR 70 N -0.95 5.19 0.57 0.58 2.01 -1.26 -4.96 115.64 116.82 1jsf s THR 70 Ca 0.18 0.13 -0.19 0.00 0.31 0.00 0.00 61.69 62.11 1jsf s THR 70 Cb 0.10 -3.44 -0.05 0.00 0.01 0.00 0.00 72.50 69.12 1jsf s THR 70 CO 0.14 0.31 1.17 -2.84 -0.69 0.00 0.00 174.62 172.72 1jsf s PRO 71 N 1.36 3.16 -1.67 4.92 0.02 -1.26 -3.36 135.00 138.17 1jsf s PRO 71 Ca 0.07 1.73 -0.02 0.00 0.02 0.00 0.00 61.00 62.80 1jsf s PRO 71 Cb -0.15 -1.97 0.00 0.00 0.02 0.00 0.00 34.50 32.40 1jsf s PRO 71 CO 0.07 -1.03 0.25 0.41 -0.33 0.00 0.00 177.00 176.37 1jsf n GLY 72 N 0.35 -0.49 3.78 0.52 0.00 -1.26 -4.91 105.19 103.17 1jsf n GLY 72 Ca 0.13 0.04 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 1jsf n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jsf s ALA 73 N -3.09 3.01 -0.13 4.61 0.00 -1.21 -4.88 121.76 120.07 1jsf s ALA 73 Ca 0.12 0.84 0.11 0.00 0.00 0.00 0.00 51.96 53.03 1jsf s ALA 73 Cb -0.05 -3.34 -0.15 0.00 0.00 0.00 0.00 23.12 19.57 1jsf s ALA 73 CO 0.15 -0.48 0.03 0.28 0.00 0.00 0.00 175.76 175.74 1jsf n VAL 74 N -0.34 0.88 -3.70 0.00 0.31 -0.53 -5.03 118.33 109.92 1jsf n VAL 74 Ca 0.06 -0.53 -0.24 0.00 -0.01 0.00 0.00 64.34 63.63 1jsf n VAL 74 Cb 0.49 -0.69 0.03 0.00 -0.91 0.00 0.00 33.84 32.75 1jsf n VAL 74 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1jsf n ASN 75 N -2.51 -2.37 0.23 4.52 5.15 -1.23 -4.88 115.26 114.17 1jsf n ASN 75 Ca -0.21 -0.89 0.08 0.00 -0.60 0.00 0.00 54.58 52.97 1jsf n ASN 75 Cb 0.91 -3.84 0.57 0.00 -0.53 0.00 0.00 39.78 36.88 1jsf n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1jsf h ALA 76 N 0.77 1.35 -0.00 5.20 0.00 -1.27 -1.63 119.26 123.68 1jsf h ALA 76 Ca -0.63 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.09 1jsf h ALA 76 Cb 1.36 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1jsf h ALA 76 CO 0.54 0.26 -0.16 0.00 0.00 0.00 0.00 179.25 179.90 1jsf n HIS 78 N -1.19 -1.94 -3.81 0.00 -0.00 -0.61 -4.97 115.22 102.70 1jsf n HIS 78 Ca 0.11 0.72 -0.12 0.00 -0.00 0.00 0.00 57.72 58.43 1jsf n HIS 78 Cb 0.30 -4.01 -0.11 0.00 -0.00 0.00 0.00 29.99 26.18 1jsf n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1jsf s LEU 79 N -6.51 1.20 0.25 2.41 1.43 -1.26 -5.08 118.68 111.12 1jsf s LEU 79 Ca 0.19 0.18 -0.30 0.00 -1.03 0.00 0.00 54.13 53.17 1jsf s LEU 79 Cb -0.05 0.85 -0.09 0.00 0.03 0.00 0.00 46.19 46.92 1jsf s LEU 79 CO 0.83 -0.24 1.31 -0.55 0.23 0.00 0.00 176.35 177.93 1jsf s SER 80 N -0.62 6.85 0.58 2.29 0.15 -1.26 -1.18 113.70 120.51 1jsf s SER 80 Ca -0.07 2.51 0.28 0.00 0.70 0.00 0.00 55.95 59.37 1jsf s SER 80 Cb -0.04 -2.62 1.69 0.00 -1.71 0.00 0.00 66.02 63.33 1jsf s SER 80 CO 0.01 -0.52 2.17 0.00 1.20 0.00 0.00 173.24 176.10 1jsf h SER 82 N 0.00 0.00 0.30 0.00 0.87 -1.90 -1.18 113.55 111.65 1jsf h SER 82 Ca 0.05 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.60 1jsf h SER 82 Cb 0.26 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.22 1jsf h SER 82 CO -0.00 0.00 -0.04 0.00 -0.53 0.00 0.00 176.83 176.26 1jsf h ALA 83 N 1.87 1.16 -0.23 6.23 0.00 -1.47 -1.92 119.26 124.89 1jsf h ALA 83 Ca 0.08 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1jsf h ALA 83 Cb 0.37 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1jsf h ALA 83 CO -0.00 0.05 0.00 1.28 0.00 0.00 0.00 179.25 180.58 1jsf n LEU 84 N -3.36 1.86 -0.52 0.00 4.77 -0.44 -3.60 117.00 115.71 1jsf n LEU 84 Ca -0.02 -0.82 0.05 0.00 -0.03 0.00 0.00 56.01 55.18 1jsf n LEU 84 Cb 0.17 -0.15 0.12 0.00 -2.33 0.00 0.00 43.42 41.23 1jsf n LEU 84 CO 0.25 0.41 0.60 0.18 -1.33 0.00 0.00 177.39 177.50 1jsf n LEU 85 N 0.46 2.72 -4.84 2.23 4.77 -0.72 -3.67 117.00 117.95 1jsf n LEU 85 Ca 0.15 -1.96 -0.31 0.00 -0.03 0.00 0.00 56.01 53.86 1jsf n LEU 85 Cb 0.34 -0.18 0.03 0.00 -2.33 0.00 0.00 43.42 41.29 1jsf n LEU 85 CO 0.12 0.68 0.71 -1.10 -1.33 0.00 0.00 177.39 176.47 1jsf s GLN 86 N -0.99 3.22 0.22 3.23 -0.21 -1.24 -4.65 119.66 119.24 1jsf s GLN 86 Ca 0.19 0.86 0.04 0.00 0.02 0.00 0.00 55.36 56.47 1jsf s GLN 86 Cb 0.10 -2.03 0.19 0.00 1.00 0.00 0.00 33.01 32.27 1jsf s GLN 86 CO 0.13 -0.87 1.52 -0.44 -2.12 0.00 0.00 175.29 173.50 1jsf h ASP 87 N -0.55 0.24 -3.33 5.90 3.32 -1.93 -3.42 116.42 116.66 1jsf h ASP 87 Ca -0.44 -0.15 -0.56 0.00 0.02 0.00 0.00 57.03 55.90 1jsf h ASP 87 Cb 1.20 -0.07 -0.04 0.00 0.22 0.00 0.00 39.33 40.64 1jsf h ASP 87 CO 0.59 0.84 0.40 0.21 -1.72 0.00 0.00 179.24 179.57 1jsf s ASN 88 N -6.90 7.18 0.00 6.45 3.84 -1.26 -4.85 114.94 119.41 1jsf s ASN 88 Ca -0.03 1.45 0.22 0.00 0.21 0.00 0.00 52.86 54.70 1jsf s ASN 88 Cb 0.12 -2.52 0.60 0.00 -0.55 0.00 0.00 41.25 38.89 1jsf s ASN 88 CO 0.80 -0.34 1.50 2.30 -2.79 0.00 0.00 177.10 178.58 1jsf n ILE 89 N 4.29 0.88 -0.24 -5.21 -5.35 -1.26 -4.54 119.36 107.93 1jsf n ILE 89 Ca 0.06 -0.90 -0.01 0.00 -0.27 0.00 0.00 62.75 61.62 1jsf n ILE 89 Cb 0.50 0.51 0.11 0.00 -1.74 0.00 0.00 39.64 39.02 1jsf n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1jsf h ALA 90 N 4.29 0.92 -0.39 -1.28 0.00 -1.94 0.04 119.26 120.90 1jsf h ALA 90 Ca 0.00 0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.80 1jsf h ALA 90 Cb 0.93 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1jsf h ALA 90 CO 0.00 0.04 -0.27 -0.44 0.00 0.00 0.00 179.25 178.58 1jsf h ASP 91 N 0.68 0.86 -0.64 0.00 3.32 -1.86 -1.47 116.42 117.31 1jsf h ASP 91 Ca 0.31 -0.34 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1jsf h ASP 91 Cb 0.22 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.50 1jsf h ASP 91 CO -0.20 1.08 0.41 0.00 -1.72 0.00 0.00 179.24 178.81 1jsf h ALA 92 N 0.98 0.81 -0.51 3.45 0.00 -1.65 -1.36 119.26 120.98 1jsf h ALA 92 Ca 0.08 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1jsf h ALA 92 Cb 0.82 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1jsf h ALA 92 CO 0.07 0.26 0.18 0.28 0.00 0.00 0.00 179.25 180.04 1jsf h VAL 93 N 0.87 1.22 -0.80 0.00 2.07 -0.79 0.40 116.25 119.22 1jsf h VAL 93 Ca 0.23 -0.72 0.01 0.00 0.82 0.00 0.00 66.70 67.05 1jsf h VAL 93 Cb -0.07 0.74 -0.04 0.00 -1.52 0.00 0.00 31.29 30.40 1jsf h VAL 93 CO -0.05 0.27 0.53 0.00 0.02 0.00 0.00 177.57 178.34 1jsf h ALA 94 N 1.03 1.02 -0.28 1.67 0.00 -0.97 -0.38 119.26 121.36 1jsf h ALA 94 Ca 0.17 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.86 1jsf h ALA 94 Cb 0.24 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1jsf h ALA 94 CO -0.01 0.42 -0.48 0.00 0.00 0.00 0.00 179.25 179.17 1jsf h ALA 96 N 0.85 1.20 -0.82 0.00 0.00 -0.56 -0.62 119.26 119.31 1jsf h ALA 96 Ca 0.03 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.79 1jsf h ALA 96 Cb 1.05 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 1jsf h ALA 96 CO 0.10 0.59 0.54 0.87 0.00 0.00 0.00 179.25 181.35 1jsf h LYS 97 N 1.01 1.05 -0.67 0.00 1.57 -0.95 -2.26 116.57 116.32 1jsf h LYS 97 Ca 0.24 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.95 1jsf h LYS 97 Cb 0.17 -0.24 -0.03 0.00 0.08 0.00 0.00 32.23 32.21 1jsf h LYS 97 CO -0.02 0.69 0.39 -0.09 -0.57 0.00 0.00 179.45 179.85 1jsf h ARG 98 N 1.08 0.91 -0.30 3.15 9.65 -0.79 -2.71 114.38 125.38 1jsf h ARG 98 Ca 0.31 -0.09 0.04 0.00 -1.10 0.00 0.00 59.98 59.14 1jsf h ARG 98 Cb -0.07 -0.19 -0.03 0.00 -1.39 0.00 0.00 29.97 28.29 1jsf h ARG 98 CO -0.09 0.66 0.09 0.28 2.80 0.00 0.00 179.97 183.72 1jsf h VAL 99 N 0.91 0.90 0.00 0.20 2.07 -0.70 -2.48 116.25 117.14 1jsf h VAL 99 Ca 0.24 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.69 1jsf h VAL 99 Cb -0.00 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 30.44 1jsf h VAL 99 CO -0.04 0.04 0.00 1.33 0.02 0.00 0.00 177.57 178.92 1jsf n VAL 100 N -5.05 0.04 0.54 2.57 0.24 -0.89 -2.47 118.33 113.31 1jsf n VAL 100 Ca -0.00 0.01 0.13 0.00 -2.04 0.00 0.00 64.34 62.44 1jsf n VAL 100 Cb 0.11 -0.57 0.43 0.00 -1.47 0.00 0.00 33.84 32.34 1jsf n VAL 100 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1jsf h ARG 101 N 0.00 0.00 -7.30 7.34 3.08 -1.13 -3.38 114.38 112.98 1jsf h ARG 101 Ca 0.00 0.00 -0.50 0.00 0.07 0.00 0.00 59.98 59.55 1jsf h ARG 101 Cb 0.08 0.00 0.06 0.00 0.08 0.00 0.00 29.97 30.19 1jsf h ARG 101 CO 0.00 0.00 0.39 -0.51 -1.07 0.00 0.00 179.97 178.78 1jsf s ASP 102 N -4.55 6.06 0.34 7.04 1.11 -1.03 -4.96 116.67 120.67 1jsf s ASP 102 Ca 0.09 1.54 0.08 0.00 0.18 0.00 0.00 52.55 54.43 1jsf s ASP 102 Cb 0.11 -2.49 0.78 0.00 1.07 0.00 0.00 42.92 42.39 1jsf s ASP 102 CO 0.54 -0.98 1.86 -0.65 1.18 0.00 0.00 175.17 177.12 1jsf h PRO 103 N -0.09 0.72 0.00 8.23 0.11 -1.88 -1.89 132.00 137.20 1jsf h PRO 103 Ca -0.45 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 1jsf h PRO 103 Cb 1.20 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.14 1jsf h PRO 103 CO 0.60 0.47 -0.08 1.96 -0.21 0.00 0.00 178.00 180.74 1jsf h GLN 104 N 0.74 0.00 0.00 1.05 4.20 -1.91 -3.48 115.11 115.72 1jsf h GLN 104 Ca 0.47 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.18 1jsf h GLN 104 Cb 0.71 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.49 1jsf h GLN 104 CO -0.23 0.08 0.00 0.41 -0.67 0.00 0.00 178.83 178.43 1jsf n GLY 105 N -0.60 2.82 0.00 3.46 0.00 -0.71 -1.88 105.19 108.27 1jsf n GLY 105 Ca -0.02 -0.38 0.09 0.00 0.00 0.00 0.00 46.02 45.71 1jsf n GLY 105 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1jsf n ILE 106 N 0.00 0.78 0.42 -0.61 3.06 -1.26 -2.24 119.36 119.51 1jsf n ILE 106 Ca 0.00 0.19 0.06 0.00 -2.50 0.00 0.00 62.75 60.50 1jsf n ILE 106 Cb 0.00 -0.89 0.25 0.00 0.54 0.00 0.00 39.64 39.54 1jsf n ILE 106 CO 0.00 0.00 0.00 0.54 -2.50 0.00 0.00 176.55 174.59 1jsf n ARG 107 N -1.50 0.03 -0.06 9.51 1.74 -0.79 -2.42 116.66 123.17 1jsf n ARG 107 Ca 0.04 0.28 0.16 0.00 -0.77 0.00 0.00 57.85 57.57 1jsf n ARG 107 Cb 0.21 -1.50 0.59 0.00 -1.02 0.00 0.00 32.46 30.73 1jsf n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1jsf h ALA 108 N 2.42 2.26 -2.42 7.54 0.00 -1.61 -3.37 119.26 124.07 1jsf h ALA 108 Ca 0.00 -0.01 -0.64 0.00 0.00 0.00 0.00 54.91 54.25 1jsf h ALA 108 Cb 0.18 -0.02 -0.15 0.00 0.00 0.00 0.00 17.79 17.80 1jsf h ALA 108 CO 0.00 -0.41 -0.02 -1.58 0.00 0.00 0.00 179.25 177.24 1jsf s TRP 109 N -5.22 3.17 0.32 0.00 0.51 -1.02 -4.96 118.94 111.74 1jsf s TRP 109 Ca -0.06 0.18 0.00 0.00 -2.12 0.00 0.00 56.10 54.10 1jsf s TRP 109 Cb 0.20 -2.97 0.53 0.00 -0.81 0.00 0.00 33.47 30.43 1jsf s TRP 109 CO 0.74 -0.56 1.96 -0.39 -0.51 0.00 0.00 176.95 178.19 1jsf h VAL 110 N 5.63 1.15 -0.46 4.03 -1.51 -1.88 -1.93 116.25 121.28 1jsf h VAL 110 Ca -0.27 -0.35 0.07 0.00 -1.23 0.00 0.00 66.70 64.92 1jsf h VAL 110 Cb 1.12 0.05 -0.03 0.00 -2.13 0.00 0.00 31.29 30.31 1jsf h VAL 110 CO 0.79 0.18 0.31 0.00 -1.23 0.00 0.00 177.57 177.62 1jsf h ALA 111 N 1.53 2.00 -0.69 5.19 0.00 -1.94 -0.29 119.26 125.07 1jsf h ALA 111 Ca 0.31 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.13 1jsf h ALA 111 Cb -0.01 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1jsf h ALA 111 CO -0.08 -0.10 0.12 2.35 0.00 0.00 0.00 179.25 181.55 1jsf h TRP 112 N 0.33 1.20 -0.56 0.00 7.01 -1.66 0.57 115.95 122.84 1jsf h TRP 112 Ca 0.21 -0.16 -0.06 0.00 2.11 0.00 0.00 58.89 60.99 1jsf h TRP 112 Cb 0.39 -0.33 -0.02 0.00 -2.10 0.00 0.00 29.16 27.09 1jsf h TRP 112 CO -0.00 0.99 0.13 0.00 -2.79 0.00 0.00 178.44 176.77 1jsf h ARG 113 N 1.06 0.90 -0.28 2.65 3.08 -1.08 0.10 114.38 120.81 1jsf h ARG 113 Ca 0.21 -0.22 -0.18 0.00 0.07 0.00 0.00 59.98 59.86 1jsf h ARG 113 Cb 0.43 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.36 1jsf h ARG 113 CO 0.01 0.84 -0.54 -0.91 -1.07 0.00 0.00 179.97 178.30 1jsf h ASN 114 N 0.80 0.96 0.00 7.04 2.35 -1.07 -3.36 115.58 122.31 1jsf h ASN 114 Ca 0.18 -0.54 0.00 0.00 -0.55 0.00 0.00 56.30 55.39 1jsf h ASN 114 Cb 0.35 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.44 1jsf h ASN 114 CO 0.00 1.32 -1.30 0.54 -1.65 0.00 0.00 177.43 176.34 1jsf n ARG 115 N -4.03 1.14 0.00 0.81 5.12 0.17 -4.84 116.66 115.03 1jsf n ARG 115 Ca -0.05 -0.08 0.00 0.00 -1.93 0.00 0.00 57.85 55.79 1jsf n ARG 115 Cb 0.63 -1.26 0.00 0.00 -1.16 0.00 0.00 32.46 30.67 1jsf n ARG 115 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1jsf n GLN 117 N -2.51 2.60 -2.22 0.00 7.27 -0.15 -2.45 117.38 119.92 1jsf n GLN 117 Ca 0.00 0.92 -0.20 0.00 0.07 0.00 0.00 57.00 57.78 1jsf n GLN 117 Cb 0.42 -2.64 -0.03 0.00 2.41 0.00 0.00 30.24 30.40 1jsf n GLN 117 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1jsf n ASN 118 N 1.12 -5.71 -4.34 1.69 3.02 -1.26 -4.97 115.26 104.81 1jsf n ASN 118 Ca 0.04 0.11 -0.18 0.00 -0.03 0.00 0.00 54.58 54.53 1jsf n ASN 118 Cb 0.37 -4.82 -0.10 0.00 -0.61 0.00 0.00 39.78 34.62 1jsf n ASN 118 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1jsf s ARG 119 N -4.75 1.31 -0.36 3.52 0.52 -1.03 -5.10 118.95 113.07 1jsf s ARG 119 Ca 0.00 -1.61 -0.29 0.00 -0.52 0.00 0.00 55.73 53.31 1jsf s ARG 119 Cb 0.00 -0.93 0.01 0.00 0.52 0.00 0.00 34.95 34.55 1jsf s ARG 119 CO 0.00 0.08 1.21 0.34 0.02 0.00 0.00 175.30 176.96 1jsf s ASP 120 N -3.31 6.70 0.00 0.23 -1.08 -1.26 -4.86 116.67 113.09 1jsf s ASP 120 Ca 0.23 0.95 0.11 0.00 -0.52 0.00 0.00 52.55 53.33 1jsf s ASP 120 Cb 0.02 -2.54 0.21 0.00 -1.46 0.00 0.00 42.92 39.15 1jsf s ASP 120 CO 0.07 -1.10 1.08 1.33 0.52 0.00 0.00 175.17 177.07 1jsf n VAL 121 N 6.35 0.55 0.22 1.11 0.24 -1.26 -4.64 118.33 120.91 1jsf n VAL 121 Ca 0.14 -0.78 0.16 0.00 -2.04 0.00 0.00 64.34 61.82 1jsf n VAL 121 Cb 0.47 0.83 0.84 0.00 -1.47 0.00 0.00 33.84 34.51 1jsf n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1jsf h ARG 122 N 2.15 0.00 -0.78 7.34 2.47 -1.92 -2.70 114.38 120.94 1jsf h ARG 122 Ca 0.00 0.00 0.15 0.00 -1.26 0.00 0.00 59.98 58.87 1jsf h ARG 122 Cb 0.62 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 28.89 1jsf h ARG 122 CO 0.00 0.00 0.52 -0.56 0.56 0.00 0.00 179.97 180.49 1jsf h GLN 123 N 0.00 0.45 0.00 0.04 3.07 -1.98 -2.33 115.11 114.36 1jsf h GLN 123 Ca 0.07 -0.03 -0.02 0.00 0.09 0.00 0.00 58.65 58.76 1jsf h GLN 123 Cb 0.36 -0.10 -0.00 0.00 0.08 0.00 0.00 27.48 27.82 1jsf h GLN 123 CO -0.00 0.30 -0.11 1.88 0.09 0.00 0.00 178.83 180.99 1jsf h TYR 124 N 0.47 0.00 -0.01 0.06 0.05 -1.82 -3.07 116.97 112.65 1jsf h TYR 124 Ca 0.38 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.16 1jsf h TYR 124 Cb 0.83 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.57 1jsf h TYR 124 CO -0.00 0.11 -0.08 1.33 -1.05 0.00 0.00 178.16 178.46 1jsf n VAL 125 N -3.56 0.00 -1.84 -2.88 0.24 -0.90 -4.86 118.33 104.53 1jsf n VAL 125 Ca -0.02 -0.46 -0.41 0.00 -2.04 0.00 0.00 64.34 61.41 1jsf n VAL 125 Cb 0.24 1.09 -0.02 0.00 -1.47 0.00 0.00 33.84 33.68 1jsf n VAL 125 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1jsf s GLN 126 N -0.83 4.16 0.00 7.34 -1.52 -1.06 -2.38 119.66 125.37 1jsf s GLN 126 Ca 0.06 2.51 0.00 0.00 -1.95 0.00 0.00 55.36 55.98 1jsf s GLN 126 Cb 0.05 -3.05 0.00 0.00 -0.22 0.00 0.00 33.01 29.79 1jsf s GLN 126 CO 0.13 -0.58 0.00 0.41 -0.25 0.00 0.00 175.29 174.99 1jsf n GLY 127 N 2.28 0.81 0.05 3.09 0.00 -1.26 -4.92 105.19 105.24 1jsf n GLY 127 Ca 0.08 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.22 1jsf n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jsf n GLY 129 N 1.46 0.41 0.24 0.00 0.00 -1.26 -4.82 105.19 101.22 1jsf n GLY 129 Ca 0.07 -0.98 0.03 0.00 0.00 0.00 0.00 46.02 45.14 1jsf n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65