#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jto s VAL 2 N 0.00 2.18 0.82 3.15 1.01 -1.26 -0.35 120.40 125.95 1jto s VAL 2 Ca 0.00 -1.65 -0.11 0.00 0.00 0.00 0.00 61.98 60.22 1jto s VAL 2 Cb 0.00 -2.29 0.08 0.00 0.00 0.00 0.00 36.38 34.17 1jto s VAL 2 CO 0.00 -0.04 1.09 -0.36 0.00 0.00 0.00 175.10 175.79 1jto s PHE 3 N 1.10 2.69 0.29 5.22 0.40 -0.54 -5.01 117.98 122.12 1jto s PHE 3 Ca -0.09 1.21 0.04 0.00 -0.60 0.00 0.00 56.93 57.50 1jto s PHE 3 Cb -0.20 -3.12 -0.03 0.00 0.51 0.00 0.00 43.02 40.19 1jto s PHE 3 CO -0.05 -1.92 0.43 0.20 0.70 0.00 0.00 175.22 174.58 1jto s GLY 4 N -3.74 1.32 0.02 4.36 0.00 -1.26 -4.89 107.32 103.14 1jto s GLY 4 Ca 0.61 -1.19 -0.10 0.00 0.00 0.00 0.00 44.72 44.04 1jto s GLY 4 CO 0.55 -1.17 1.15 -0.09 0.00 0.00 0.00 173.10 173.54 1jto h ARG 5 N 0.99 -0.24 -0.73 2.90 2.43 -1.97 -1.93 114.38 115.84 1jto h ARG 5 Ca -0.50 0.02 0.08 0.00 -0.81 0.00 0.00 59.98 58.77 1jto h ARG 5 Cb 1.23 0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 30.79 1jto h ARG 5 CO 0.59 -0.16 0.48 0.00 -1.51 0.00 0.00 179.97 179.37 1jto h GLU 7 N 0.68 -0.74 -0.80 0.00 4.81 -1.92 -0.93 114.58 115.66 1jto h GLU 7 Ca 0.33 0.05 0.09 0.00 -0.13 0.00 0.00 59.36 59.70 1jto h GLU 7 Cb 0.39 0.17 -0.05 0.00 0.63 0.00 0.00 28.75 29.89 1jto h GLU 7 CO -0.11 -0.50 0.52 1.25 -0.73 0.00 0.00 179.01 179.44 1jto h LEU 8 N -0.77 0.69 -0.37 1.64 5.85 -0.83 -2.06 115.31 119.47 1jto h LEU 8 Ca -0.03 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 1jto h LEU 8 Cb 0.68 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.56 1jto h LEU 8 CO -0.04 0.42 0.14 0.00 -0.34 0.00 0.00 178.44 178.62 1jto h ALA 9 N 1.59 0.48 -0.29 1.25 0.00 -0.76 0.44 119.26 121.96 1jto h ALA 9 Ca 0.37 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 55.06 1jto h ALA 9 Cb 0.39 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1jto h ALA 9 CO -0.14 0.10 -0.11 0.00 0.00 0.00 0.00 179.25 179.09 1jto h ALA 10 N 0.98 1.26 -0.11 0.00 0.00 -0.55 0.90 119.26 121.74 1jto h ALA 10 Ca 0.12 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1jto h ALA 10 Cb 0.21 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1jto h ALA 10 CO -0.01 0.49 -0.06 0.00 0.00 0.00 0.00 179.25 179.67 1jto h ALA 11 N 1.42 0.16 -0.02 0.00 0.00 -1.09 -0.34 119.26 119.40 1jto h ALA 11 Ca 0.09 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 1jto h ALA 11 Cb 0.48 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1jto h ALA 11 CO 0.03 -0.06 -0.13 0.52 0.00 0.00 0.00 179.25 179.61 1jto h MET 12 N -0.11 0.04 0.11 0.00 2.86 -0.64 -2.06 114.93 115.12 1jto h MET 12 Ca 0.03 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.65 1jto h MET 12 Cb 0.52 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.17 1jto h MET 12 CO 0.02 0.17 -0.05 -0.22 1.06 0.00 0.00 176.91 177.89 1jto h LYS 13 N 0.03 -0.14 -0.75 1.72 3.64 -0.44 -2.28 116.57 118.35 1jto h LYS 13 Ca 0.01 0.01 0.21 0.00 -1.27 0.00 0.00 60.65 59.61 1jto h LYS 13 Cb 0.26 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.08 1jto h LYS 13 CO 0.02 0.24 0.54 0.00 -2.27 0.00 0.00 179.45 177.97 1jto h ARG 14 N -0.54 0.04 -0.49 1.90 3.08 -0.64 0.90 114.38 118.63 1jto h ARG 14 Ca -0.01 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1jto h ARG 14 Cb 0.44 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.48 1jto h ARG 14 CO 0.02 0.03 0.00 0.72 -1.07 0.00 0.00 179.97 179.67 1jto n HIS 15 N -4.33 0.66 -2.20 3.04 8.25 -0.81 -4.94 115.22 114.88 1jto n HIS 15 Ca 0.15 -0.29 -0.07 0.00 -0.26 0.00 0.00 57.72 57.25 1jto n HIS 15 Cb 0.79 -0.08 -0.00 0.00 1.12 0.00 0.00 29.99 31.82 1jto n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1jto n GLY 16 N 0.90 0.10 0.11 -1.41 0.00 0.31 -4.96 105.19 100.24 1jto n GLY 16 Ca 0.13 -0.56 0.05 0.00 0.00 0.00 0.00 46.02 45.64 1jto n GLY 16 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1jto h LEU 17 N -0.08 0.00 -8.86 0.99 3.38 -1.59 -3.41 115.31 105.75 1jto h LEU 17 Ca -0.18 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.24 1jto h LEU 17 Cb 1.13 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.88 1jto h LEU 17 CO 0.21 0.33 1.50 -0.62 0.09 0.00 0.00 178.44 179.95 1jto s ASP 18 N -5.71 5.22 -0.66 -0.43 2.15 -1.26 -1.47 116.67 114.51 1jto s ASP 18 Ca -0.01 1.57 0.00 0.00 0.43 0.00 0.00 52.55 54.54 1jto s ASP 18 Cb 0.09 -2.51 0.00 0.00 -0.30 0.00 0.00 42.92 40.20 1jto s ASP 18 CO 0.79 -2.19 0.00 0.59 -0.17 0.00 0.00 175.17 174.19 1jto n ASN 19 N 12.70 -3.90 -4.70 -0.34 3.02 0.14 -4.83 115.26 117.35 1jto n ASN 19 Ca 0.31 0.15 -0.42 0.00 -0.03 0.00 0.00 54.58 54.59 1jto n ASN 19 Cb 0.48 -1.95 -0.03 0.00 -0.61 0.00 0.00 39.78 37.67 1jto n ASN 19 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1jto s TYR 20 N -2.18 2.89 -1.55 3.10 5.04 -0.54 -1.43 117.35 122.69 1jto s TYR 20 Ca 0.00 0.71 -0.01 0.00 -2.44 0.00 0.00 57.07 55.33 1jto s TYR 20 Cb 0.00 -3.78 0.01 0.00 0.35 0.00 0.00 41.96 38.54 1jto s TYR 20 CO 0.00 -2.91 0.14 0.54 -1.34 0.00 0.00 175.55 171.98 1jto n ARG 21 N 4.81 -2.50 -0.37 4.97 5.12 -1.26 -1.38 116.66 126.05 1jto n ARG 21 Ca 0.13 0.87 0.00 0.00 -1.93 0.00 0.00 57.85 56.92 1jto n ARG 21 Cb 0.42 -5.56 0.00 0.00 -1.16 0.00 0.00 32.46 26.16 1jto n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1jto n GLY 22 N -1.07 2.12 3.57 -0.13 0.00 -0.51 -4.98 105.19 104.19 1jto n GLY 22 Ca -0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.40 1jto n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jto s TYR 23 N -3.25 2.87 0.62 1.61 2.02 -0.48 -4.82 117.35 115.92 1jto s TYR 23 Ca 0.00 0.46 -0.19 0.00 -0.37 0.00 0.00 57.07 56.97 1jto s TYR 23 Cb 0.00 -4.14 -0.02 0.00 -0.40 0.00 0.00 41.96 37.39 1jto s TYR 23 CO 0.00 -1.19 1.27 -1.54 -1.57 0.00 0.00 175.55 172.52 1jto s SER 24 N 2.38 4.88 0.31 2.29 1.04 -1.26 -0.68 113.70 122.66 1jto s SER 24 Ca 0.40 2.54 0.05 0.00 0.48 0.00 0.00 55.95 59.42 1jto s SER 24 Cb -0.09 -2.61 0.81 0.00 0.10 0.00 0.00 66.02 64.23 1jto s SER 24 CO 0.28 -1.81 1.62 0.25 0.98 0.00 0.00 173.24 174.55 1jto h LEU 25 N 0.75 -0.09 -1.71 2.42 5.85 -1.88 0.23 115.31 120.88 1jto h LEU 25 Ca -0.51 0.23 0.24 0.00 0.84 0.00 0.00 57.88 58.69 1jto h LEU 25 Cb 1.32 0.33 -0.06 0.00 0.37 0.00 0.00 40.66 42.62 1jto h LEU 25 CO 0.54 -0.25 0.64 1.23 -0.34 0.00 0.00 178.44 180.26 1jto h GLY 26 N 0.12 0.52 1.00 3.75 0.00 -1.90 -1.18 103.07 105.39 1jto h GLY 26 Ca 0.61 -0.10 0.01 0.00 0.00 0.00 0.00 47.33 47.84 1jto h GLY 26 CO -0.75 -0.02 0.41 3.43 0.00 0.00 0.00 176.54 179.61 1jto h ASN 27 N 0.22 0.71 -0.18 0.19 2.35 -0.70 -0.60 115.58 117.57 1jto h ASN 27 Ca 0.48 -0.02 -0.13 0.00 -0.55 0.00 0.00 56.30 56.08 1jto h ASN 27 Cb 1.50 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 39.70 1jto h ASN 27 CO -0.12 0.51 -0.40 -0.50 -1.65 0.00 0.00 177.43 175.28 1jto h TRP 28 N 0.84 0.74 -0.62 1.19 4.06 -1.35 -1.67 115.95 119.15 1jto h TRP 28 Ca 0.23 -0.28 0.02 0.00 2.06 0.00 0.00 58.89 60.92 1jto h TRP 28 Cb -0.09 -0.13 -0.04 0.00 -1.00 0.00 0.00 29.16 27.90 1jto h TRP 28 CO -0.03 1.03 0.39 0.28 -3.56 0.00 0.00 178.44 176.55 1jto h VAL 29 N 0.25 1.10 -0.57 1.49 2.07 -1.43 -0.41 116.25 118.75 1jto h VAL 29 Ca 0.00 -0.27 0.01 0.00 0.82 0.00 0.00 66.70 67.26 1jto h VAL 29 Cb 1.00 0.26 -0.03 0.00 -1.52 0.00 0.00 31.29 31.00 1jto h VAL 29 CO 0.09 0.14 0.38 0.00 0.02 0.00 0.00 177.57 178.20 1jto h ALA 31 N 1.21 -0.49 -0.79 0.00 0.00 -0.64 -2.49 119.26 116.06 1jto h ALA 31 Ca 0.21 -0.13 0.13 0.00 0.00 0.00 0.00 54.91 55.13 1jto h ALA 31 Cb -0.08 0.19 -0.09 0.00 0.00 0.00 0.00 17.79 17.81 1jto h ALA 31 CO -0.05 -0.74 0.38 0.00 0.00 0.00 0.00 179.25 178.84 1jto h ALA 32 N 0.06 1.16 -0.16 0.00 0.00 -0.93 0.53 119.26 119.91 1jto h ALA 32 Ca -0.05 0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.00 1jto h ALA 32 Cb 0.42 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.15 1jto h ALA 32 CO 0.08 -0.11 -0.24 -0.22 0.00 0.00 0.00 179.25 178.76 1jto h LYS 33 N 0.57 -0.28 0.00 0.00 1.63 -0.70 -1.21 116.57 116.58 1jto h LYS 33 Ca 0.43 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 60.24 1jto h LYS 33 Cb 0.59 0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.28 1jto h LYS 33 CO -0.35 -0.19 -0.23 1.19 -3.45 0.00 0.00 179.45 176.42 1jto n PHE 34 N -5.37 0.46 -0.00 1.91 3.72 -0.86 -0.99 117.46 116.33 1jto n PHE 34 Ca -0.02 0.13 -0.09 0.00 -0.05 0.00 0.00 57.45 57.42 1jto n PHE 34 Cb 0.29 -0.65 -0.14 0.00 -0.94 0.00 0.00 39.48 38.04 1jto n PHE 34 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1jto h GLU 35 N 0.00 0.02 0.00 -1.08 4.39 -0.55 -3.43 114.58 113.93 1jto h GLU 35 Ca 0.00 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1jto h GLU 35 Cb 0.64 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.31 1jto h GLU 35 CO 0.00 0.64 0.00 -1.13 -1.16 0.00 0.00 179.01 177.36 1jto n SER 36 N -3.14 0.00 -1.38 1.42 3.41 -0.49 -4.76 113.62 108.68 1jto n SER 36 Ca -0.15 -0.48 -0.11 0.00 -0.26 0.00 0.00 58.87 57.88 1jto n SER 36 Cb 1.03 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.99 1jto n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1jto n ASN 37 N 0.00 -3.65 -0.92 4.04 2.85 -0.16 -2.67 115.26 114.74 1jto n ASN 37 Ca 0.00 -0.06 -0.12 0.00 -0.11 0.00 0.00 54.58 54.29 1jto n ASN 37 Cb 0.12 -2.76 -0.05 0.00 1.24 0.00 0.00 39.78 38.33 1jto n ASN 37 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 1jto n PHE 38 N -3.96 -0.02 -3.42 1.20 3.72 -1.23 -4.83 117.46 108.93 1jto n PHE 38 Ca -0.10 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 56.91 1jto n PHE 38 Cb 0.58 -2.21 -0.09 0.00 -0.94 0.00 0.00 39.48 36.82 1jto n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1jto s ASN 39 N -2.86 6.29 0.32 4.37 3.84 -1.09 -1.47 114.94 124.33 1jto s ASN 39 Ca 0.00 0.34 0.25 0.00 0.21 0.00 0.00 52.86 53.66 1jto s ASN 39 Cb 0.00 -2.20 0.67 0.00 -0.55 0.00 0.00 41.25 39.17 1jto s ASN 39 CO 0.00 -0.12 1.72 0.71 -2.79 0.00 0.00 177.10 176.62 1jto h THR 40 N 5.24 0.00 0.00 -5.21 1.35 -1.03 -3.15 112.91 110.11 1jto h THR 40 Ca -0.34 -0.66 0.00 0.00 -0.55 0.00 0.00 66.41 64.86 1jto h THR 40 Cb 1.16 1.64 0.00 0.00 -1.73 0.00 0.00 68.15 69.23 1jto h THR 40 CO 0.67 0.00 -0.44 1.67 -0.25 0.00 0.00 175.52 177.16 1jto n GLN 41 N -2.62 0.03 -1.63 4.72 -0.06 -1.26 -4.16 117.38 112.40 1jto n GLN 41 Ca 0.04 0.01 -0.48 0.00 -2.00 0.00 0.00 57.00 54.57 1jto n GLN 41 Cb 0.45 -1.52 -0.05 0.00 -4.06 0.00 0.00 30.24 25.06 1jto n GLN 41 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1jto n ALA 42 N -1.53 0.21 -2.95 1.69 0.00 -1.19 -4.75 120.51 111.99 1jto n ALA 42 Ca 0.05 0.47 -0.12 0.00 0.00 0.00 0.00 53.44 53.84 1jto n ALA 42 Cb 0.35 -2.20 -0.14 0.00 0.00 0.00 0.00 19.45 17.46 1jto n ALA 42 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1jto s THR 43 N 0.52 -0.00 -0.19 0.00 -4.23 -1.26 -0.53 115.64 109.94 1jto s THR 43 Ca 0.79 0.01 -0.02 0.00 -1.18 0.00 0.00 61.69 61.29 1jto s THR 43 Cb -0.80 -0.07 0.06 0.00 1.34 0.00 0.00 72.50 73.03 1jto s THR 43 CO 0.44 0.00 0.01 0.21 -0.54 0.00 0.00 174.62 174.74 1jto s ASN 44 N 0.06 3.02 0.01 3.99 2.47 0.04 -4.96 114.94 119.58 1jto s ASN 44 Ca -0.00 -0.83 -0.30 0.00 0.42 0.00 0.00 52.86 52.14 1jto s ASN 44 Cb -0.01 -0.74 -0.05 0.00 -1.45 0.00 0.00 41.25 39.01 1jto s ASN 44 CO -0.00 -0.27 1.19 -0.13 -3.72 0.00 0.00 177.10 174.17 1jto s ARG 45 N 1.75 4.41 0.46 0.43 0.52 -1.26 -1.22 118.95 124.03 1jto s ARG 45 Ca -0.01 1.72 0.07 0.00 -0.52 0.00 0.00 55.73 56.98 1jto s ARG 45 Cb -0.17 -3.44 0.02 0.00 0.52 0.00 0.00 34.95 31.89 1jto s ARG 45 CO -0.07 -0.32 0.63 -0.80 0.02 0.00 0.00 175.30 174.76 1jto s ASN 46 N 1.23 5.53 0.08 0.23 0.01 0.41 -4.99 114.94 117.43 1jto s ASN 46 Ca 0.57 -0.35 0.28 0.00 -0.71 0.00 0.00 52.86 52.65 1jto s ASN 46 Cb -0.27 -0.65 1.08 0.00 0.41 0.00 0.00 41.25 41.82 1jto s ASN 46 CO 0.27 -0.89 1.87 0.35 -1.51 0.00 0.00 177.10 177.19 1jto n THR 47 N -1.99 0.22 1.14 1.60 -2.24 -1.26 -2.82 114.28 108.93 1jto n THR 47 Ca 0.08 -0.11 0.11 0.00 -2.27 0.00 0.00 64.05 61.87 1jto n THR 47 Cb 0.59 -0.53 0.36 0.00 -2.10 0.00 0.00 70.33 68.65 1jto n THR 47 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1jto n ASP 48 N -1.78 1.91 0.00 3.42 3.85 -1.26 -4.91 116.55 117.77 1jto n ASP 48 Ca 0.06 -1.73 0.00 0.00 -0.71 0.00 0.00 54.79 52.42 1jto n ASP 48 Cb 0.37 -0.11 0.00 0.00 -1.35 0.00 0.00 41.12 40.04 1jto n ASP 48 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1jto n GLY 49 N 1.19 3.20 3.79 6.12 0.00 -1.13 -5.06 105.19 113.30 1jto n GLY 49 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 1jto n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jto s SER 50 N -0.03 2.66 -0.01 1.61 1.04 -1.26 -4.76 113.70 112.96 1jto s SER 50 Ca 0.00 0.61 -0.03 0.00 0.48 0.00 0.00 55.95 57.01 1jto s SER 50 Cb 0.00 -0.89 -0.00 0.00 0.10 0.00 0.00 66.02 65.23 1jto s SER 50 CO 0.00 -3.04 0.06 -0.89 0.98 0.00 0.00 173.24 170.35 1jto s THR 51 N -3.44 0.05 -0.24 2.02 2.01 -1.26 -0.45 115.64 114.34 1jto s THR 51 Ca 0.69 -0.44 -0.10 0.00 0.31 0.00 0.00 61.69 62.15 1jto s THR 51 Cb -0.09 -0.24 -0.05 0.00 0.01 0.00 0.00 72.50 72.13 1jto s THR 51 CO 0.54 -0.24 0.14 -1.81 -0.69 0.00 0.00 174.62 172.55 1jto s ASP 52 N -0.76 5.90 0.12 3.53 1.01 -0.36 -0.68 116.67 125.43 1jto s ASP 52 Ca -0.08 0.04 0.06 0.00 0.71 0.00 0.00 52.55 53.28 1jto s ASP 52 Cb -0.05 -2.06 -0.04 0.00 1.01 0.00 0.00 42.92 41.78 1jto s ASP 52 CO 0.00 0.05 -0.02 -0.31 0.21 0.00 0.00 175.17 175.10 1jto s TYR 53 N 1.15 2.91 0.03 4.23 1.51 -0.29 -0.78 117.35 126.12 1jto s TYR 53 Ca 0.07 -0.08 0.00 0.00 -1.01 0.00 0.00 57.07 56.05 1jto s TYR 53 Cb -0.14 -1.48 0.00 0.00 -0.11 0.00 0.00 41.96 40.23 1jto s TYR 53 CO 0.05 0.48 0.00 0.41 -1.11 0.00 0.00 175.55 175.38 1jto n GLY 54 N 0.39 -1.87 0.38 0.71 0.00 0.31 -1.42 105.19 103.70 1jto n GLY 54 Ca -0.11 -1.33 0.15 0.00 0.00 0.00 0.00 46.02 44.73 1jto n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1jto h ILE 55 N -0.13 0.79 -0.16 -0.61 6.09 -1.72 -2.03 117.51 119.73 1jto h ILE 55 Ca 0.00 -0.16 0.00 0.00 -1.37 0.00 0.00 64.86 63.34 1jto h ILE 55 Cb 0.13 0.29 0.00 0.00 0.47 0.00 0.00 36.82 37.71 1jto h ILE 55 CO 0.00 0.08 0.00 0.18 -3.07 0.00 0.00 178.15 175.34 1jto n LEU 56 N -4.49 2.77 -3.97 2.19 4.77 -1.26 -4.10 117.00 112.91 1jto n LEU 56 Ca 0.15 -2.45 -0.28 0.00 -0.03 0.00 0.00 56.01 53.41 1jto n LEU 56 Cb 0.54 -0.28 -0.02 0.00 -2.33 0.00 0.00 43.42 41.33 1jto n LEU 56 CO 0.32 0.65 -0.24 0.00 -1.33 0.00 0.00 177.39 176.79 1jto n GLN 57 N -0.39 -2.60 -2.16 3.23 1.13 -0.77 -4.92 117.38 110.91 1jto n GLN 57 Ca 0.11 0.36 -0.41 0.00 -1.94 0.00 0.00 57.00 55.12 1jto n GLN 57 Cb 0.53 -4.26 -0.03 0.00 0.11 0.00 0.00 30.24 26.59 1jto n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1jto s ILE 58 N -3.93 3.08 0.13 5.09 1.01 -0.51 -4.40 121.20 121.68 1jto s ILE 58 Ca 0.08 0.87 -0.30 0.00 0.00 0.00 0.00 60.65 61.30 1jto s ILE 58 Cb -0.03 -3.56 -0.07 0.00 0.01 0.00 0.00 42.46 38.81 1jto s ILE 58 CO 0.90 0.12 1.18 0.21 0.00 0.00 0.00 174.94 177.36 1jto s ASN 59 N 0.47 7.11 0.00 3.58 3.84 -1.26 -1.14 114.94 127.54 1jto s ASN 59 Ca 0.59 2.12 0.23 0.00 0.21 0.00 0.00 52.86 56.01 1jto s ASN 59 Cb -0.38 -2.59 1.28 0.00 -0.55 0.00 0.00 41.25 39.01 1jto s ASN 59 CO 0.38 -0.39 1.76 -1.54 -2.79 0.00 0.00 177.10 174.52 1jto n SER 60 N 3.09 0.00 -0.06 -4.21 3.41 0.14 -1.95 113.62 114.05 1jto n SER 60 Ca 0.06 -0.40 -0.01 0.00 -0.26 0.00 0.00 58.87 58.27 1jto n SER 60 Cb 0.46 -0.14 -0.16 0.00 -0.26 0.00 0.00 64.21 64.11 1jto n SER 60 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1jto n ARG 61 N -1.14 0.72 -0.07 4.33 0.63 -1.26 -4.47 116.66 115.40 1jto n ARG 61 Ca 0.14 -0.09 -0.12 0.00 -0.92 0.00 0.00 57.85 56.86 1jto n ARG 61 Cb 0.13 -1.50 -0.06 0.00 0.45 0.00 0.00 32.46 31.47 1jto n ARG 61 CO 0.00 0.00 0.00 0.91 -2.51 0.00 0.00 177.63 176.03 1jto n TRP 62 N -2.51 0.00 -0.10 -0.14 7.02 -1.17 -0.16 117.44 120.39 1jto n TRP 62 Ca -0.19 0.00 -0.11 0.00 -1.02 0.00 0.00 57.50 56.17 1jto n TRP 62 Cb 0.88 -0.56 -0.13 0.00 -2.42 0.00 0.00 31.31 29.08 1jto n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 1jto n TRP 63 N -3.16 0.00 -4.30 -5.99 7.02 -0.82 -0.54 117.44 109.64 1jto n TRP 63 Ca -0.27 0.00 -0.16 0.00 -1.02 0.00 0.00 57.50 56.05 1jto n TRP 63 Cb 0.76 -0.88 -0.10 0.00 -2.42 0.00 0.00 31.31 28.66 1jto n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1jto s ASN 65 N -3.29 4.50 0.00 0.00 3.84 -0.81 -4.18 114.94 115.00 1jto s ASN 65 Ca 0.35 -1.20 0.22 0.00 0.21 0.00 0.00 52.86 52.44 1jto s ASN 65 Cb 0.07 -1.63 0.55 0.00 -0.55 0.00 0.00 41.25 39.69 1jto s ASN 65 CO 0.12 -0.19 1.47 -0.90 -2.79 0.00 0.00 177.10 174.81 1jto n ASP 66 N 4.56 3.48 0.00 -4.21 5.75 -1.26 -2.65 116.55 122.23 1jto n ASP 66 Ca -0.15 -1.98 0.00 0.00 -0.01 0.00 0.00 54.79 52.65 1jto n ASP 66 Cb 0.44 -0.36 0.00 0.00 -1.03 0.00 0.00 41.12 40.17 1jto n ASP 66 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1jto n GLY 67 N 1.54 1.10 0.07 6.12 0.00 -1.26 -4.68 105.19 108.08 1jto n GLY 67 Ca 0.21 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.35 1jto n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jto n ARG 68 N -1.93 0.49 -3.61 1.61 1.74 -1.26 -4.85 116.66 108.84 1jto n ARG 68 Ca 0.00 0.04 -0.39 0.00 -0.77 0.00 0.00 57.85 56.73 1jto n ARG 68 Cb 0.00 -1.70 -0.11 0.00 -1.02 0.00 0.00 32.46 29.63 1jto n ARG 68 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1jto s THR 69 N -3.32 4.92 0.33 0.55 2.01 -1.26 -5.01 115.64 113.86 1jto s THR 69 Ca 0.00 -0.26 -0.27 0.00 0.31 0.00 0.00 61.69 61.47 1jto s THR 69 Cb 0.12 -3.48 -0.09 0.00 0.01 0.00 0.00 72.50 69.06 1jto s THR 69 CO 0.80 0.08 1.08 -2.84 -0.69 0.00 0.00 174.62 173.05 1jto s PRO 70 N 1.67 4.42 -1.05 4.92 0.02 -1.26 -3.84 135.00 139.88 1jto s PRO 70 Ca 0.06 1.68 0.00 0.00 0.02 0.00 0.00 61.00 62.76 1jto s PRO 70 Cb -0.17 -2.91 0.00 0.00 0.02 0.00 0.00 34.50 31.45 1jto s PRO 70 CO 0.08 0.05 0.00 0.41 -0.33 0.00 0.00 177.00 177.21 1jto n GLY 71 N 0.83 -0.01 3.73 0.52 0.00 -1.26 -4.99 105.19 104.01 1jto n GLY 71 Ca 0.02 -0.39 -0.42 0.00 0.00 0.00 0.00 46.02 45.23 1jto n GLY 71 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1jto s SER 72 N -2.49 7.10 0.24 1.61 0.15 -1.25 -4.94 113.70 114.12 1jto s SER 72 Ca 0.00 2.11 0.10 0.00 0.70 0.00 0.00 55.95 58.86 1jto s SER 72 Cb 0.00 -2.59 0.23 0.00 -1.71 0.00 0.00 66.02 61.95 1jto s SER 72 CO 0.00 -0.40 1.54 0.03 1.20 0.00 0.00 173.24 175.61 1jto h ARG 73 N 5.98 0.00 -6.53 5.44 2.47 -0.72 -3.48 114.38 117.54 1jto h ARG 73 Ca -0.43 0.00 -0.51 0.00 -1.26 0.00 0.00 59.98 57.78 1jto h ARG 73 Cb 1.21 0.00 -0.07 0.00 -1.65 0.00 0.00 29.97 29.46 1jto h ARG 73 CO 0.78 0.70 -0.88 -1.71 0.56 0.00 0.00 179.97 179.41 1jto n ASN 74 N -3.69 -0.61 0.30 7.04 4.05 -0.66 -4.83 115.26 116.86 1jto n ASN 74 Ca -0.01 -1.01 0.20 0.00 0.45 0.00 0.00 54.58 54.21 1jto n ASN 74 Cb 0.69 -3.01 1.05 0.00 1.23 0.00 0.00 39.78 39.74 1jto n ASN 74 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 1jto h LEU 75 N -1.81 0.00 -0.18 1.20 3.38 -0.79 0.19 115.31 117.30 1jto h LEU 75 Ca -0.63 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.34 1jto h LEU 75 Cb 1.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.13 1jto h LEU 75 CO 0.64 0.00 -0.69 0.00 0.09 0.00 0.00 178.44 178.48 1jto n ASN 77 N -1.22 -6.11 -3.60 0.00 5.15 0.67 -4.96 115.26 105.18 1jto n ASN 77 Ca 0.06 -0.62 -0.10 0.00 -0.60 0.00 0.00 54.58 53.32 1jto n ASN 77 Cb 0.35 -3.40 -0.02 0.00 -0.53 0.00 0.00 39.78 36.18 1jto n ASN 77 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 1jto s ILE 78 N -3.07 0.00 -0.00 -1.44 -4.36 -1.26 -5.09 121.20 105.98 1jto s ILE 78 Ca 0.07 -0.42 -0.22 0.00 -0.26 0.00 0.00 60.65 59.82 1jto s ILE 78 Cb -0.03 -1.39 -0.05 0.00 1.25 0.00 0.00 42.46 42.25 1jto s ILE 78 CO 0.83 -0.02 0.66 -2.16 0.24 0.00 0.00 174.94 174.49 1jto s PRO 79 N -3.82 4.39 0.58 0.37 0.04 -1.26 -1.93 135.00 133.37 1jto s PRO 79 Ca 0.05 0.85 0.29 0.00 0.04 0.00 0.00 61.00 62.23 1jto s PRO 79 Cb -0.03 -3.37 1.45 0.00 0.04 0.00 0.00 34.50 32.60 1jto s PRO 79 CO -0.06 0.28 1.87 0.00 0.04 0.00 0.00 177.00 179.14 1jto h SER 81 N 0.00 0.00 0.31 0.00 4.64 -1.91 -0.61 113.55 115.98 1jto h SER 81 Ca 0.27 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.55 1jto h SER 81 Cb 1.37 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.45 1jto h SER 81 CO -0.00 0.00 -0.22 0.00 -0.87 0.00 0.00 176.83 175.74 1jto h ALA 82 N 1.77 1.47 0.00 5.18 0.00 -1.36 -2.67 119.26 123.65 1jto h ALA 82 Ca 0.16 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1jto h ALA 82 Cb 0.71 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1jto h ALA 82 CO -0.00 0.27 0.00 1.28 0.00 0.00 0.00 179.25 180.80 1jto n LEU 83 N -4.03 0.00 -1.07 0.00 4.77 -0.23 -3.20 117.00 113.23 1jto n LEU 83 Ca -0.02 0.09 0.10 0.00 -0.03 0.00 0.00 56.01 56.15 1jto n LEU 83 Cb 0.29 -0.09 0.23 0.00 -2.33 0.00 0.00 43.42 41.51 1jto n LEU 83 CO 0.35 -0.01 0.69 0.18 -1.33 0.00 0.00 177.39 177.27 1jto n LEU 84 N -1.09 3.41 -4.88 2.23 4.77 -1.01 -3.99 117.00 116.44 1jto n LEU 84 Ca 0.19 -1.73 -0.30 0.00 -0.03 0.00 0.00 56.01 54.14 1jto n LEU 84 Cb 0.14 -0.31 0.03 0.00 -2.33 0.00 0.00 43.42 40.95 1jto n LEU 84 CO 0.18 0.80 0.70 -0.94 -1.33 0.00 0.00 177.39 176.80 1jto s SER 85 N -1.19 5.77 0.00 -1.43 1.04 -1.20 -4.55 113.70 112.14 1jto s SER 85 Ca 0.37 1.17 0.28 0.00 0.48 0.00 0.00 55.95 58.25 1jto s SER 85 Cb 0.21 -2.10 1.48 0.00 0.10 0.00 0.00 66.02 65.70 1jto s SER 85 CO 0.28 -1.11 1.98 -1.54 0.98 0.00 0.00 173.24 173.82 1jto n SER 86 N -2.84 0.00 -4.45 7.02 3.41 -1.26 -4.51 113.62 111.00 1jto n SER 86 Ca 0.06 -0.33 -0.39 0.00 -0.26 0.00 0.00 58.87 57.95 1jto n SER 86 Cb 0.56 -0.21 -0.11 0.00 -0.26 0.00 0.00 64.21 64.19 1jto n SER 86 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1jto s ASP 87 N -2.41 5.65 0.00 4.04 -1.08 -1.26 -4.98 116.67 116.62 1jto s ASP 87 Ca 0.31 -0.56 0.13 0.00 -0.52 0.00 0.00 52.55 51.91 1jto s ASP 87 Cb 0.19 -2.03 0.79 0.00 -1.46 0.00 0.00 42.92 40.42 1jto s ASP 87 CO 0.40 -0.22 1.37 2.30 0.52 0.00 0.00 175.17 179.53 1jto n ILE 88 N 5.00 0.00 -0.13 4.11 -5.35 -1.26 -4.27 119.36 117.46 1jto n ILE 88 Ca -0.13 0.00 -0.05 0.00 -0.27 0.00 0.00 62.75 62.30 1jto n ILE 88 Cb 0.49 -0.35 0.02 0.00 -1.74 0.00 0.00 39.64 38.05 1jto n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1jto h THR 89 N 0.00 0.57 -0.68 7.28 2.02 -1.95 -0.45 112.91 119.71 1jto h THR 89 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1jto h THR 89 Cb 0.00 0.57 -0.03 0.00 -1.74 0.00 0.00 68.15 66.95 1jto h THR 89 CO 0.00 0.00 0.43 0.00 0.37 0.00 0.00 175.52 176.32 1jto h ALA 90 N 1.40 0.87 -0.34 6.16 0.00 -1.86 0.04 119.26 125.53 1jto h ALA 90 Ca 0.20 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1jto h ALA 90 Cb 0.31 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1jto h ALA 90 CO -0.43 0.31 0.08 0.77 0.00 0.00 0.00 179.25 179.98 1jto h SER 91 N 0.92 0.52 0.02 0.00 0.02 -1.75 -2.09 113.55 111.20 1jto h SER 91 Ca 0.25 -0.24 0.01 0.00 -0.84 0.00 0.00 61.79 60.97 1jto h SER 91 Cb -0.07 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.32 1jto h SER 91 CO -0.05 0.62 -0.09 0.58 -1.14 0.00 0.00 176.83 176.75 1jto h VAL 92 N 0.39 0.77 -0.42 2.27 2.07 -0.72 0.60 116.25 121.21 1jto h VAL 92 Ca 0.11 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.67 1jto h VAL 92 Cb 0.31 0.77 -0.04 0.00 -1.52 0.00 0.00 31.29 30.81 1jto h VAL 92 CO 0.00 0.00 0.17 0.78 0.02 0.00 0.00 177.57 178.54 1jto h ASN 93 N -0.17 0.21 -0.57 0.57 2.35 -0.95 -0.79 115.58 116.23 1jto h ASN 93 Ca 0.03 0.04 -0.05 0.00 -0.55 0.00 0.00 56.30 55.76 1jto h ASN 93 Cb 0.20 0.01 -0.02 0.00 0.05 0.00 0.00 38.32 38.56 1jto h ASN 93 CO -0.08 0.16 0.15 0.00 -1.65 0.00 0.00 177.43 176.01 1jto h ALA 95 N 1.03 1.70 0.00 0.00 0.00 0.10 0.11 119.26 122.20 1jto h ALA 95 Ca 0.18 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.98 1jto h ALA 95 Cb 0.33 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1jto h ALA 95 CO -0.00 0.07 -0.58 0.87 0.00 0.00 0.00 179.25 179.60 1jto h LYS 96 N 0.82 0.00 -0.20 0.00 1.57 -0.79 -2.07 116.57 115.90 1jto h LYS 96 Ca 0.46 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 59.13 1jto h LYS 96 Cb 0.59 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.90 1jto h LYS 96 CO -0.22 0.58 -0.30 -0.22 -0.57 0.00 0.00 179.45 178.72 1jto h LYS 97 N 0.00 0.56 -0.74 3.15 1.63 -0.50 -2.27 116.57 118.39 1jto h LYS 97 Ca -0.01 -0.33 0.04 0.00 -0.85 0.00 0.00 60.65 59.50 1jto h LYS 97 Cb 1.06 0.03 -0.05 0.00 -0.60 0.00 0.00 32.23 32.67 1jto h LYS 97 CO 0.08 0.94 0.46 0.82 -3.45 0.00 0.00 179.45 178.30 1jto h ILE 98 N 0.22 1.08 0.00 2.00 2.04 -0.91 -2.20 117.51 119.75 1jto h ILE 98 Ca 0.02 -0.31 -0.10 0.00 1.00 0.00 0.00 64.86 65.47 1jto h ILE 98 Cb 0.89 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 1jto h ILE 98 CO 0.07 0.16 -0.48 0.58 0.00 0.00 0.00 178.15 178.49 1jto h VAL 99 N 0.89 1.19 -4.16 1.67 2.07 -1.36 -3.40 116.25 113.14 1jto h VAL 99 Ca 0.30 -1.73 -0.51 0.00 0.82 0.00 0.00 66.70 65.59 1jto h VAL 99 Cb 0.05 1.97 0.10 0.00 -1.52 0.00 0.00 31.29 31.89 1jto h VAL 99 CO -0.12 0.47 0.39 -0.44 0.02 0.00 0.00 177.57 177.89 1jto s SER 100 N -6.69 5.26 0.00 0.57 0.01 -0.83 -2.52 113.70 109.51 1jto s SER 100 Ca -0.01 2.07 0.00 0.00 1.31 0.00 0.00 55.95 59.32 1jto s SER 100 Cb 0.12 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.79 1jto s SER 100 CO 0.72 -1.53 0.00 0.47 0.41 0.00 0.00 173.24 173.32 1jto n ASP 101 N -2.08 0.00 0.00 2.44 8.00 -1.26 -4.03 116.55 119.62 1jto n ASP 101 Ca 0.11 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.61 1jto n ASP 101 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.62 1jto n ASP 101 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jto n GLY 102 N 0.00 0.16 0.07 0.44 0.00 -1.26 -5.02 105.19 99.58 1jto n GLY 102 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1jto n GLY 102 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1jto h ASN 103 N 0.00 0.06 -3.15 1.61 -1.24 -1.70 -3.50 115.58 107.66 1jto h ASN 103 Ca 0.00 -0.59 0.12 0.00 0.71 0.00 0.00 56.30 56.54 1jto h ASN 103 Cb 0.10 -0.02 -0.03 0.00 0.73 0.00 0.00 38.32 39.10 1jto h ASN 103 CO 0.00 0.64 -0.16 0.61 -1.29 0.00 0.00 177.43 177.23 1jto n GLY 104 N 0.51 -1.84 0.00 1.57 0.00 -1.05 -3.76 105.19 100.62 1jto n GLY 104 Ca -0.09 -1.28 0.12 0.00 0.00 0.00 0.00 46.02 44.77 1jto n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1jto n MET 105 N -2.00 0.96 0.00 1.61 2.81 -1.26 -3.12 117.12 116.11 1jto n MET 105 Ca 0.00 0.00 0.07 0.00 -1.81 0.00 0.00 57.70 55.96 1jto n MET 105 Cb 0.20 -1.40 0.32 0.00 -0.71 0.00 0.00 33.22 31.63 1jto n MET 105 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1jto n ASN 106 N -0.90 0.00 0.26 7.83 3.02 -1.25 -1.68 115.26 122.55 1jto n ASN 106 Ca 0.18 0.46 0.09 0.00 -0.03 0.00 0.00 54.58 55.28 1jto n ASN 106 Cb 0.08 -0.48 0.68 0.00 -0.61 0.00 0.00 39.78 39.45 1jto n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jto h ALA 107 N 2.52 1.83 -2.28 5.41 0.00 -1.71 -3.35 119.26 121.68 1jto h ALA 107 Ca 0.00 -0.03 -0.72 0.00 0.00 0.00 0.00 54.91 54.16 1jto h ALA 107 Cb 0.24 -0.01 -0.21 0.00 0.00 0.00 0.00 17.79 17.82 1jto h ALA 107 CO 0.00 0.04 -0.22 -1.58 0.00 0.00 0.00 179.25 177.49 1jto s TRP 108 N -4.88 3.18 0.20 0.00 0.51 -0.68 -4.95 118.94 112.33 1jto s TRP 108 Ca -0.05 -0.71 -0.10 0.00 -2.12 0.00 0.00 56.10 53.12 1jto s TRP 108 Cb 0.16 -3.16 0.20 0.00 -0.81 0.00 0.00 33.47 29.86 1jto s TRP 108 CO 0.65 -0.82 1.82 0.28 -0.51 0.00 0.00 176.95 178.37 1jto h VAL 109 N 5.76 1.03 -0.59 4.03 2.07 -1.85 -0.53 116.25 126.18 1jto h VAL 109 Ca -0.28 -0.25 0.07 0.00 0.82 0.00 0.00 66.70 67.06 1jto h VAL 109 Cb 1.11 0.23 -0.04 0.00 -1.52 0.00 0.00 31.29 31.07 1jto h VAL 109 CO 0.87 0.13 0.39 0.00 0.02 0.00 0.00 177.57 178.99 1jto h ALA 110 N 1.31 1.85 -0.24 1.67 0.00 -1.94 0.25 119.26 122.16 1jto h ALA 110 Ca 0.28 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 1jto h ALA 110 Cb 0.10 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1jto h ALA 110 CO -0.14 0.04 -0.08 2.35 0.00 0.00 0.00 179.25 181.43 1jto h TRP 111 N 0.54 0.55 -0.74 0.00 7.01 -1.45 -0.18 115.95 121.68 1jto h TRP 111 Ca 0.26 -0.12 -0.00 0.00 2.11 0.00 0.00 58.89 61.13 1jto h TRP 111 Cb 0.32 -0.13 -0.04 0.00 -2.10 0.00 0.00 29.16 27.21 1jto h TRP 111 CO -0.00 0.72 0.46 -0.09 -2.79 0.00 0.00 178.44 176.74 1jto h ARG 112 N 0.22 0.99 0.04 2.65 2.43 0.08 -0.12 114.38 120.68 1jto h ARG 112 Ca 0.06 -0.08 -0.26 0.00 -0.81 0.00 0.00 59.98 58.89 1jto h ARG 112 Cb 0.56 -0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 29.87 1jto h ARG 112 CO 0.03 0.68 -1.33 -0.91 -1.51 0.00 0.00 179.97 176.93 1jto h ASN 113 N 1.01 0.14 0.00 -3.80 2.35 -0.40 -3.39 115.58 111.50 1jto h ASN 113 Ca 0.27 -0.19 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 1jto h ASN 113 Cb -0.06 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.26 1jto h ASN 113 CO -0.05 1.16 0.00 0.54 -1.65 0.00 0.00 177.43 177.42 1jto n ARG 114 N -3.32 3.48 -0.00 0.81 5.12 -0.10 -4.89 116.66 117.77 1jto n ARG 114 Ca -0.09 -0.19 -0.03 0.00 -1.93 0.00 0.00 57.85 55.61 1jto n ARG 114 Cb 1.00 -0.67 -0.01 0.00 -1.16 0.00 0.00 32.46 31.62 1jto n ARG 114 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1jto n LYS 116 N -3.32 1.23 0.00 0.00 4.81 -0.24 -0.91 118.16 119.74 1jto n LYS 116 Ca -0.05 0.44 0.00 0.00 -0.87 0.00 0.00 58.31 57.83 1jto n LYS 116 Cb 0.39 -1.96 0.00 0.00 0.02 0.00 0.00 35.03 33.48 1jto n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1jto n GLY 117 N 2.07 2.72 3.83 3.14 0.00 -1.26 -4.92 105.19 110.77 1jto n GLY 117 Ca 0.15 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.98 1jto n GLY 117 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1jto n THR 118 N -2.00 0.00 -1.80 2.61 -2.24 -0.09 -4.98 114.28 105.78 1jto n THR 118 Ca 0.00 -1.90 -0.42 0.00 -2.27 0.00 0.00 64.05 59.46 1jto n THR 118 Cb 0.00 -0.52 0.00 0.00 -2.10 0.00 0.00 70.33 67.71 1jto n THR 118 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1jto n ASP 119 N -2.34 3.97 0.33 3.42 2.03 -1.26 -4.72 116.55 117.97 1jto n ASP 119 Ca 0.16 -2.85 0.22 0.00 0.52 0.00 0.00 54.79 52.84 1jto n ASP 119 Cb 0.59 -1.66 1.17 0.00 -0.72 0.00 0.00 41.12 40.49 1jto n ASP 119 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 1jto h VAL 120 N 4.12 0.06 0.00 5.18 -1.51 -1.91 0.12 116.25 122.31 1jto h VAL 120 Ca 0.56 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 66.03 1jto h VAL 120 Cb 0.66 0.98 0.00 0.00 -2.13 0.00 0.00 31.29 30.80 1jto h VAL 120 CO 1.85 0.00 0.00 1.67 -1.23 0.00 0.00 177.57 179.86 1jto n GLN 121 N -3.16 0.17 0.25 5.19 -0.06 -1.26 -2.52 117.38 115.99 1jto n GLN 121 Ca -0.03 0.41 0.11 0.00 -2.00 0.00 0.00 57.00 55.50 1jto n GLN 121 Cb 0.09 -1.83 0.67 0.00 -4.06 0.00 0.00 30.24 25.12 1jto n GLN 121 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1jto h ALA 122 N 2.28 1.29 0.00 1.69 0.00 -1.13 -2.18 119.26 121.21 1jto h ALA 122 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1jto h ALA 122 Cb 0.33 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1jto h ALA 122 CO 0.00 0.18 0.00 0.91 0.00 0.00 0.00 179.25 180.34 1jto n TRP 123 N -3.68 0.46 -0.28 0.00 7.02 -1.05 -3.15 117.44 116.77 1jto n TRP 123 Ca -0.02 0.15 0.00 0.00 -1.02 0.00 0.00 57.50 56.62 1jto n TRP 123 Cb 0.26 -0.75 0.00 0.00 -2.42 0.00 0.00 31.31 28.41 1jto n TRP 123 CO 0.00 0.00 0.00 0.44 -2.02 0.00 0.00 177.69 176.11 1jto n ILE 124 N -1.89 0.44 -2.30 -0.99 -5.35 -1.01 -4.68 119.36 103.57 1jto n ILE 124 Ca 0.05 -0.58 -0.42 0.00 -0.27 0.00 0.00 62.75 61.52 1jto n ILE 124 Cb 0.31 0.89 -0.03 0.00 -1.74 0.00 0.00 39.64 39.08 1jto n ILE 124 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 1jto s ARG 125 N -0.44 4.27 0.00 6.28 3.52 -0.85 -2.28 118.95 129.45 1jto s ARG 125 Ca 0.00 1.85 0.00 0.00 -0.13 0.00 0.00 55.73 57.45 1jto s ARG 125 Cb 0.00 -3.68 0.00 0.00 -1.56 0.00 0.00 34.95 29.71 1jto s ARG 125 CO 0.00 -0.62 0.00 0.41 -0.81 0.00 0.00 175.30 174.28 1jto n GLY 126 N 3.64 0.20 3.48 8.12 0.00 -1.26 -5.02 105.19 114.34 1jto n GLY 126 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 1jto n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jto h ARG 128 N 9.38 0.00 0.00 0.00 3.08 -1.96 -3.51 114.38 121.37 1jto h ARG 128 Ca -0.28 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.77 1jto h ARG 128 Cb 1.08 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.12 1jto h ARG 128 CO 1.11 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 181.29