#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jis s VAL 2 N 0.00 4.49 0.55 3.15 1.01 -1.26 -1.22 120.40 127.12 1jis s VAL 2 Ca 0.00 -0.46 -0.15 0.00 0.00 0.00 0.00 61.98 61.36 1jis s VAL 2 Cb 0.00 -3.29 -0.06 0.00 0.00 0.00 0.00 36.38 33.02 1jis s VAL 2 CO 0.00 0.07 1.00 -0.36 0.00 0.00 0.00 175.10 175.82 1jis s PHE 3 N 1.59 3.41 0.44 5.22 0.40 0.03 -4.99 117.98 124.08 1jis s PHE 3 Ca 0.04 1.44 -0.04 0.00 -0.60 0.00 0.00 56.93 57.78 1jis s PHE 3 Cb -0.17 -2.81 -0.04 0.00 0.51 0.00 0.00 43.02 40.51 1jis s PHE 3 CO 0.06 -0.55 0.71 0.20 0.70 0.00 0.00 175.22 176.34 1jis s GLY 4 N -3.23 1.47 0.11 4.36 0.00 -1.26 -4.86 107.32 103.90 1jis s GLY 4 Ca 0.59 -0.61 -0.32 0.00 0.00 0.00 0.00 44.72 44.38 1jis s GLY 4 CO 0.36 -0.48 1.59 -0.09 0.00 0.00 0.00 173.10 174.48 1jis h ARG 5 N 0.42 -0.68 -0.24 2.90 2.43 -1.97 -1.77 114.38 115.46 1jis h ARG 5 Ca -0.48 0.05 -0.10 0.00 -0.81 0.00 0.00 59.98 58.64 1jis h ARG 5 Cb 1.21 0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.90 1jis h ARG 5 CO 0.62 -0.46 -0.29 0.00 -1.51 0.00 0.00 179.97 178.33 1jis h GLU 7 N 0.42 1.10 -0.24 0.00 4.81 -1.90 -0.74 114.58 118.03 1jis h GLU 7 Ca 0.06 -0.07 -0.19 0.00 -0.13 0.00 0.00 59.36 59.03 1jis h GLU 7 Cb 0.72 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 29.86 1jis h GLU 7 CO 0.06 0.73 -0.59 1.25 -0.73 0.00 0.00 179.01 179.72 1jis h LEU 8 N 1.13 0.93 -0.68 1.64 5.85 -1.17 -2.08 115.31 120.94 1jis h LEU 8 Ca 0.32 -0.56 0.05 0.00 0.84 0.00 0.00 57.88 58.53 1jis h LEU 8 Cb -0.10 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 40.61 1jis h LEU 8 CO -0.08 1.33 0.39 0.00 -0.34 0.00 0.00 178.44 179.74 1jis h ALA 9 N 0.63 0.90 -0.57 1.25 0.00 -1.06 0.93 119.26 121.35 1jis h ALA 9 Ca -0.01 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1jis h ALA 9 Cb 1.21 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 1jis h ALA 9 CO 0.13 0.10 0.20 0.00 0.00 0.00 0.00 179.25 179.68 1jis h ALA 10 N 1.33 0.74 -0.65 0.00 0.00 -1.06 -0.75 119.26 118.88 1jis h ALA 10 Ca 0.30 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 1jis h ALA 10 Cb 0.14 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1jis h ALA 10 CO -0.16 0.38 0.08 0.00 0.00 0.00 0.00 179.25 179.55 1jis h ALA 11 N 1.06 0.86 -0.44 0.00 0.00 -0.71 -1.82 119.26 118.22 1jis h ALA 11 Ca 0.19 -0.28 -0.14 0.00 0.00 0.00 0.00 54.91 54.68 1jis h ALA 11 Cb 0.24 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1jis h ALA 11 CO -0.01 0.65 -0.28 0.52 0.00 0.00 0.00 179.25 180.13 1jis h MET 12 N 1.00 0.96 -0.76 0.00 2.86 -0.65 -2.25 114.93 116.09 1jis h MET 12 Ca 0.19 -0.45 -0.04 0.00 -2.06 0.00 0.00 59.70 57.35 1jis h MET 12 Cb 0.47 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.08 1jis h MET 12 CO 0.02 1.11 0.33 -0.22 1.06 0.00 0.00 176.91 179.21 1jis h LYS 13 N 0.79 1.12 -0.12 1.72 3.64 -1.02 -1.92 116.57 120.79 1jis h LYS 13 Ca 0.09 -0.19 -0.06 0.00 -1.27 0.00 0.00 60.65 59.22 1jis h LYS 13 Cb 0.86 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.48 1jis h LYS 13 CO 0.08 0.90 -0.18 -0.09 -2.27 0.00 0.00 179.45 177.88 1jis h ARG 14 N 1.09 0.19 -0.53 1.90 1.12 -1.19 -2.18 114.38 114.78 1jis h ARG 14 Ca 0.26 -0.05 0.00 0.00 -1.11 0.00 0.00 59.98 59.08 1jis h ARG 14 Cb 0.18 -0.02 0.00 0.00 -0.01 0.00 0.00 29.97 30.11 1jis h ARG 14 CO -0.03 0.38 0.00 0.72 -3.11 0.00 0.00 179.97 177.93 1jis n HIS 15 N -4.24 0.64 -1.76 2.20 8.25 -0.86 -4.92 115.22 114.53 1jis n HIS 15 Ca -0.01 -0.26 -0.05 0.00 -0.26 0.00 0.00 57.72 57.14 1jis n HIS 15 Cb 0.30 -0.12 -0.01 0.00 1.12 0.00 0.00 29.99 31.28 1jis n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1jis n GLY 16 N 0.72 0.38 0.13 -1.41 0.00 -0.82 -4.96 105.19 99.23 1jis n GLY 16 Ca 0.11 -0.72 0.07 0.00 0.00 0.00 0.00 46.02 45.49 1jis n GLY 16 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1jis h LEU 17 N 0.00 0.00 -9.27 0.99 3.38 -1.56 -3.40 115.31 105.45 1jis h LEU 17 Ca -0.12 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.30 1jis h LEU 17 Cb 0.83 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.58 1jis h LEU 17 CO 0.16 0.22 1.20 -0.62 0.09 0.00 0.00 178.44 179.49 1jis s ASP 18 N -5.72 6.43 -0.11 -0.43 2.15 -1.26 -1.35 116.67 116.37 1jis s ASP 18 Ca 0.00 2.40 0.00 0.00 0.43 0.00 0.00 52.55 55.38 1jis s ASP 18 Cb 0.08 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.17 1jis s ASP 18 CO 0.77 -1.10 0.00 0.59 -0.17 0.00 0.00 175.17 175.26 1jis n ASN 19 N 7.82 -4.30 -4.67 -0.34 3.02 -0.29 -4.89 115.26 111.60 1jis n ASN 19 Ca 0.20 0.03 -0.42 0.00 -0.03 0.00 0.00 54.58 54.35 1jis n ASN 19 Cb 0.42 -1.90 -0.03 0.00 -0.61 0.00 0.00 39.78 37.67 1jis n ASN 19 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1jis s TYR 20 N -1.65 2.00 -1.80 3.10 5.04 -0.46 -1.26 117.35 122.33 1jis s TYR 20 Ca 0.00 0.09 0.00 0.00 -2.44 0.00 0.00 57.07 54.72 1jis s TYR 20 Cb 0.00 -4.02 0.00 0.00 0.35 0.00 0.00 41.96 38.29 1jis s TYR 20 CO 0.00 -4.29 0.00 0.54 -1.34 0.00 0.00 175.55 170.46 1jis n ARG 21 N 6.55 -1.67 -0.77 4.97 5.12 -1.26 -2.02 116.66 127.58 1jis n ARG 21 Ca 0.17 1.01 0.00 0.00 -1.93 0.00 0.00 57.85 57.11 1jis n ARG 21 Cb 0.41 -5.60 0.00 0.00 -1.16 0.00 0.00 32.46 26.11 1jis n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1jis n GLY 22 N -0.83 0.79 3.49 -0.13 0.00 -0.39 -5.03 105.19 103.09 1jis n GLY 22 Ca -0.23 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.37 1jis n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jis s TYR 23 N -3.00 3.18 0.82 1.61 2.02 -0.86 -4.90 117.35 116.22 1jis s TYR 23 Ca 0.00 -0.36 -0.13 0.00 -0.37 0.00 0.00 57.07 56.21 1jis s TYR 23 Cb 0.00 -2.84 0.08 0.00 -0.40 0.00 0.00 41.96 38.80 1jis s TYR 23 CO 0.00 -0.66 1.13 -1.13 -1.57 0.00 0.00 175.55 173.32 1jis n SER 24 N 5.53 0.73 -0.34 2.29 3.41 -1.26 -1.14 113.62 122.84 1jis n SER 24 Ca -0.08 0.56 0.13 0.00 -0.26 0.00 0.00 58.87 59.22 1jis n SER 24 Cb 0.48 -1.48 0.33 0.00 -0.26 0.00 0.00 64.21 63.28 1jis n SER 24 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1jis h LEU 25 N -0.99 0.77 -1.71 1.04 5.85 -1.90 -0.94 115.31 117.42 1jis h LEU 25 Ca -0.46 0.08 0.11 0.00 0.84 0.00 0.00 57.88 58.45 1jis h LEU 25 Cb 1.30 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 42.23 1jis h LEU 25 CO 0.45 0.31 0.39 1.23 -0.34 0.00 0.00 178.44 180.48 1jis h GLY 26 N 0.77 0.46 0.92 3.75 0.00 -1.90 -1.99 103.07 105.07 1jis h GLY 26 Ca 0.55 -0.13 -0.00 0.00 0.00 0.00 0.00 47.33 47.74 1jis h GLY 26 CO -0.33 0.07 0.07 3.43 0.00 0.00 0.00 176.54 179.78 1jis h ASN 27 N 0.31 0.18 -0.43 0.19 2.35 -1.40 -1.29 115.58 115.49 1jis h ASN 27 Ca 0.27 -0.11 -0.08 0.00 -0.55 0.00 0.00 56.30 55.83 1jis h ASN 27 Cb 0.65 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.95 1jis h ASN 27 CO -0.06 0.24 -0.01 -0.50 -1.65 0.00 0.00 177.43 175.44 1jis h TRP 28 N 0.11 0.91 -0.26 1.19 4.06 -1.45 -0.88 115.95 119.62 1jis h TRP 28 Ca 0.05 -0.14 -0.16 0.00 2.06 0.00 0.00 58.89 60.70 1jis h TRP 28 Cb 0.11 -0.24 -0.00 0.00 -1.00 0.00 0.00 29.16 28.02 1jis h TRP 28 CO -0.03 0.84 -0.49 0.28 -3.56 0.00 0.00 178.44 175.47 1jis h VAL 29 N 0.78 1.29 -0.50 1.49 2.07 -1.34 -1.87 116.25 118.18 1jis h VAL 29 Ca 0.15 -1.70 -0.06 0.00 0.82 0.00 0.00 66.70 65.91 1jis h VAL 29 Cb 0.49 1.62 -0.02 0.00 -1.52 0.00 0.00 31.29 31.86 1jis h VAL 29 CO 0.02 0.54 0.09 0.00 0.02 0.00 0.00 177.57 178.24 1jis h ALA 31 N 0.97 0.86 -0.48 0.00 0.00 -1.05 -2.41 119.26 117.14 1jis h ALA 31 Ca 0.15 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1jis h ALA 31 Cb 0.39 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1jis h ALA 31 CO 0.01 0.42 0.19 0.00 0.00 0.00 0.00 179.25 179.86 1jis h ALA 32 N 1.15 0.63 -0.05 0.00 0.00 -1.14 -0.32 119.26 119.52 1jis h ALA 32 Ca 0.23 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 55.02 1jis h ALA 32 Cb 0.11 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 1jis h ALA 32 CO -0.03 0.24 -0.25 -0.22 0.00 0.00 0.00 179.25 178.99 1jis h LYS 33 N 0.64 -0.35 0.00 0.00 1.63 -0.88 -1.52 116.57 116.09 1jis h LYS 33 Ca 0.16 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.98 1jis h LYS 33 Cb 0.20 0.08 0.00 0.00 -0.60 0.00 0.00 32.23 31.91 1jis h LYS 33 CO -0.01 -0.23 -0.15 0.74 -3.45 0.00 0.00 179.45 176.35 1jis h PHE 34 N -0.36 0.00 0.19 1.91 0.04 -1.36 0.11 116.94 117.47 1jis h PHE 34 Ca 0.08 0.00 -0.34 0.00 2.80 0.00 0.00 57.97 60.51 1jis h PHE 34 Cb 0.47 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.64 1jis h PHE 34 CO -0.31 0.00 -1.64 0.93 -0.60 0.00 0.00 178.31 176.69 1jis h GLU 35 N 0.00 0.41 0.00 1.51 4.39 -0.87 -3.43 114.58 116.59 1jis h GLU 35 Ca 0.00 -0.70 0.00 0.00 0.34 0.00 0.00 59.36 59.00 1jis h GLU 35 Cb 0.89 0.26 0.00 0.00 -0.10 0.00 0.00 28.75 29.80 1jis h GLU 35 CO 0.00 1.32 0.00 -1.13 -1.16 0.00 0.00 179.01 178.04 1jis n SER 36 N -3.60 0.12 -3.52 1.42 3.41 -0.60 -4.84 113.62 106.02 1jis n SER 36 Ca -0.21 -0.85 -0.23 0.00 -0.26 0.00 0.00 58.87 57.32 1jis n SER 36 Cb 1.08 0.02 0.08 0.00 -0.26 0.00 0.00 64.21 65.13 1jis n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1jis n ASN 37 N -0.02 -6.05 -1.30 4.04 5.15 0.40 -2.38 115.26 115.10 1jis n ASN 37 Ca 0.00 -0.53 -0.17 0.00 -0.60 0.00 0.00 54.58 53.28 1jis n ASN 37 Cb 0.18 -4.94 -0.07 0.00 -0.53 0.00 0.00 39.78 34.42 1jis n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1jis n PHE 38 N -4.91 0.00 -3.58 1.20 3.72 -1.21 -4.84 117.46 107.85 1jis n PHE 38 Ca -0.01 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 57.00 1jis n PHE 38 Cb 0.57 -3.09 -0.11 0.00 -0.94 0.00 0.00 39.48 35.90 1jis n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1jis s ASN 39 N -2.70 5.92 0.59 4.37 2.47 -1.00 -0.79 114.94 123.80 1jis s ASN 39 Ca 0.00 -0.31 0.37 0.00 0.42 0.00 0.00 52.86 53.34 1jis s ASN 39 Cb 0.00 -2.10 1.69 0.00 -1.45 0.00 0.00 41.25 39.39 1jis s ASN 39 CO 0.00 -0.16 2.10 0.71 -3.72 0.00 0.00 177.10 176.03 1jis h THR 40 N 5.48 0.01 -0.29 -5.21 1.35 -1.48 -2.96 112.91 109.82 1jis h THR 40 Ca -0.33 -0.36 0.00 0.00 -0.55 0.00 0.00 66.41 65.17 1jis h THR 40 Cb 1.17 1.36 0.00 0.00 -1.73 0.00 0.00 68.15 68.95 1jis h THR 40 CO 0.60 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.88 1jis n GLN 41 N -3.09 1.94 -2.09 4.72 6.02 -1.26 -3.90 117.38 119.71 1jis n GLN 41 Ca -0.01 -1.43 -0.41 0.00 -0.01 0.00 0.00 57.00 55.15 1jis n GLN 41 Cb 0.24 -1.39 -0.02 0.00 1.02 0.00 0.00 30.24 30.08 1jis n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1jis s ALA 42 N -1.62 3.54 0.00 -1.58 0.00 -1.12 -4.82 121.76 116.16 1jis s ALA 42 Ca 0.32 1.27 -0.02 0.00 0.00 0.00 0.00 51.96 53.54 1jis s ALA 42 Cb 0.17 -3.50 -0.01 0.00 0.00 0.00 0.00 23.12 19.78 1jis s ALA 42 CO 0.25 -0.67 0.02 0.95 0.00 0.00 0.00 175.76 176.31 1jis s THR 43 N -0.69 0.06 -0.14 0.00 -4.23 -1.26 -1.14 115.64 108.23 1jis s THR 43 Ca 0.53 -0.49 -0.07 0.00 -1.18 0.00 0.00 61.69 60.48 1jis s THR 43 Cb -0.40 -0.20 0.06 0.00 1.34 0.00 0.00 72.50 73.30 1jis s THR 43 CO 0.49 -0.27 0.32 0.20 -0.54 0.00 0.00 174.62 174.82 1jis s ASN 44 N -0.81 -0.24 0.06 3.99 -0.87 -0.93 -4.98 114.94 111.15 1jis s ASN 44 Ca -0.09 0.70 -0.13 0.00 -1.57 0.00 0.00 52.86 51.77 1jis s ASN 44 Cb -0.05 0.66 -0.06 0.00 -0.02 0.00 0.00 41.25 41.78 1jis s ASN 44 CO -0.00 -0.19 0.45 -0.60 -2.57 0.00 0.00 177.10 174.18 1jis s ARG 45 N 1.63 3.89 0.30 -0.60 3.52 -1.26 -0.54 118.95 125.89 1jis s ARG 45 Ca -0.07 0.37 0.07 0.00 -0.13 0.00 0.00 55.73 55.96 1jis s ARG 45 Cb -0.10 -3.08 -0.02 0.00 -1.56 0.00 0.00 34.95 30.18 1jis s ARG 45 CO -0.10 0.60 0.35 -0.80 -0.81 0.00 0.00 175.30 174.54 1jis s ASN 46 N -1.45 5.80 0.52 -2.12 -0.87 0.04 -4.98 114.94 111.88 1jis s ASN 46 Ca 0.30 -0.22 0.16 0.00 -1.57 0.00 0.00 52.86 51.54 1jis s ASN 46 Cb -0.16 -1.33 1.27 0.00 -0.02 0.00 0.00 41.25 41.01 1jis s ASN 46 CO 0.17 -0.27 2.13 0.71 -2.57 0.00 0.00 177.10 177.27 1jis h THR 47 N 1.14 0.98 0.00 1.60 1.35 -1.99 -1.76 112.91 114.23 1jis h THR 47 Ca -0.47 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 65.38 1jis h THR 47 Cb 1.25 0.96 0.00 0.00 -1.73 0.00 0.00 68.15 68.62 1jis h THR 47 CO 0.57 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 174.95 1jis n ASP 48 N -4.52 0.00 0.00 5.36 5.75 -1.26 -4.86 116.55 117.02 1jis n ASP 48 Ca -0.02 -1.64 0.00 0.00 -0.01 0.00 0.00 54.79 53.12 1jis n ASP 48 Cb 0.14 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.23 1jis n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1jis n GLY 49 N 0.54 1.89 3.90 6.12 0.00 -0.66 -5.03 105.19 111.96 1jis n GLY 49 Ca 0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.79 1jis n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jis s SER 50 N -2.66 4.87 0.03 1.61 1.04 -1.26 -4.74 113.70 112.58 1jis s SER 50 Ca 0.00 0.78 0.02 0.00 0.48 0.00 0.00 55.95 57.24 1jis s SER 50 Cb 0.00 -1.42 -0.02 0.00 0.10 0.00 0.00 66.02 64.69 1jis s SER 50 CO 0.00 -1.65 -0.08 -0.89 0.98 0.00 0.00 173.24 171.60 1jis s THR 51 N -3.41 0.59 -0.12 2.02 2.01 -1.26 -0.78 115.64 114.69 1jis s THR 51 Ca 0.60 -0.77 -0.06 0.00 0.31 0.00 0.00 61.69 61.77 1jis s THR 51 Cb -0.11 -0.58 -0.04 0.00 0.01 0.00 0.00 72.50 71.78 1jis s THR 51 CO 0.48 -0.15 0.11 -1.81 -0.69 0.00 0.00 174.62 172.56 1jis s ASP 52 N -1.01 6.10 -0.00 3.53 1.01 0.30 -1.05 116.67 125.56 1jis s ASP 52 Ca -0.04 0.37 0.04 0.00 0.71 0.00 0.00 52.55 53.63 1jis s ASP 52 Cb -0.07 -1.95 -0.01 0.00 1.01 0.00 0.00 42.92 41.90 1jis s ASP 52 CO 0.00 0.37 -0.14 -0.31 0.21 0.00 0.00 175.17 175.31 1jis s TYR 53 N -0.82 1.26 0.00 4.23 1.51 -0.21 -2.20 117.35 121.12 1jis s TYR 53 Ca 0.13 -0.25 0.00 0.00 -1.01 0.00 0.00 57.07 55.94 1jis s TYR 53 Cb -0.12 -0.80 0.00 0.00 -0.11 0.00 0.00 41.96 40.93 1jis s TYR 53 CO 0.03 -0.01 0.00 0.41 -1.11 0.00 0.00 175.55 174.87 1jis n GLY 54 N 2.62 -2.28 0.31 0.71 0.00 -0.29 -1.49 105.19 104.77 1jis n GLY 54 Ca -0.15 -1.55 0.11 0.00 0.00 0.00 0.00 46.02 44.44 1jis n GLY 54 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1jis h ILE 55 N 0.00 0.94 -0.51 -0.61 -0.00 -1.71 -1.64 117.51 113.98 1jis h ILE 55 Ca 0.00 -0.06 0.00 0.00 -0.00 0.00 0.00 64.86 64.80 1jis h ILE 55 Cb 0.00 0.74 0.00 0.00 -0.00 0.00 0.00 36.82 37.56 1jis h ILE 55 CO 0.00 0.03 0.00 0.18 -0.00 0.00 0.00 178.15 178.36 1jis n LEU 56 N -4.48 3.42 -3.84 0.16 4.77 -1.26 -3.89 117.00 111.88 1jis n LEU 56 Ca 0.04 -2.04 -0.35 0.00 -0.03 0.00 0.00 56.01 53.62 1jis n LEU 56 Cb 0.26 -0.35 0.02 0.00 -2.33 0.00 0.00 43.42 41.02 1jis n LEU 56 CO 0.35 0.83 -0.12 0.00 -1.33 0.00 0.00 177.39 177.12 1jis n GLN 57 N 0.95 -0.86 -2.65 3.23 1.13 -0.62 -4.91 117.38 113.66 1jis n GLN 57 Ca 0.17 0.40 -0.42 0.00 -1.94 0.00 0.00 57.00 55.21 1jis n GLN 57 Cb 0.53 -3.17 -0.03 0.00 0.11 0.00 0.00 30.24 27.68 1jis n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1jis s ILE 58 N -3.38 4.69 0.22 5.09 1.01 -0.56 -4.39 121.20 123.88 1jis s ILE 58 Ca 0.37 1.93 -0.30 0.00 0.00 0.00 0.00 60.65 62.65 1jis s ILE 58 Cb -0.17 -4.24 -0.08 0.00 0.01 0.00 0.00 42.46 37.97 1jis s ILE 58 CO 0.91 0.14 0.97 0.21 0.00 0.00 0.00 174.94 177.17 1jis s ASN 59 N 1.03 7.56 0.13 3.58 3.84 -1.26 -1.05 114.94 128.77 1jis s ASN 59 Ca 0.53 1.96 0.25 0.00 0.21 0.00 0.00 52.86 55.81 1jis s ASN 59 Cb -0.23 -2.61 0.94 0.00 -0.55 0.00 0.00 41.25 38.81 1jis s ASN 59 CO 0.28 0.07 1.76 -1.54 -2.79 0.00 0.00 177.10 174.88 1jis n SER 60 N 1.73 0.42 0.10 -4.21 3.41 -0.21 -2.08 113.62 112.78 1jis n SER 60 Ca -0.01 0.56 -0.02 0.00 -0.26 0.00 0.00 58.87 59.14 1jis n SER 60 Cb 0.47 -0.67 0.22 0.00 -0.26 0.00 0.00 64.21 63.97 1jis n SER 60 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1jis h ARG 61 N 0.00 0.20 0.00 4.33 2.43 -1.84 -3.40 114.38 116.10 1jis h ARG 61 Ca 0.00 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 1jis h ARG 61 Cb 0.52 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.08 1jis h ARG 61 CO 0.00 0.62 -0.71 0.91 -1.51 0.00 0.00 179.97 179.28 1jis n TRP 62 N -3.99 0.00 -0.08 2.20 7.02 -1.23 -0.69 117.44 120.67 1jis n TRP 62 Ca -0.02 0.00 -0.08 0.00 -1.02 0.00 0.00 57.50 56.38 1jis n TRP 62 Cb 0.50 0.00 -0.16 0.00 -2.42 0.00 0.00 31.31 29.24 1jis n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 1jis n TRP 63 N -1.56 0.18 -4.05 -5.99 7.02 -0.88 -0.76 117.44 111.39 1jis n TRP 63 Ca 0.00 0.06 -0.09 0.00 -1.02 0.00 0.00 57.50 56.45 1jis n TRP 63 Cb 0.35 -1.00 -0.09 0.00 -2.42 0.00 0.00 31.31 28.15 1jis n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1jis s ASN 65 N -2.98 5.30 0.00 0.00 2.47 -0.63 -4.54 114.94 114.56 1jis s ASN 65 Ca 0.17 -0.12 0.02 0.00 0.42 0.00 0.00 52.86 53.35 1jis s ASN 65 Cb 0.06 -1.94 0.05 0.00 -1.45 0.00 0.00 41.25 37.98 1jis s ASN 65 CO -0.02 0.03 0.97 -0.90 -3.72 0.00 0.00 177.10 173.45 1jis n ASP 66 N 4.51 2.02 0.00 -4.21 5.75 -1.26 -1.26 116.55 122.10 1jis n ASP 66 Ca -0.16 -1.85 0.00 0.00 -0.01 0.00 0.00 54.79 52.77 1jis n ASP 66 Cb 0.52 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.57 1jis n ASP 66 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1jis n GLY 67 N -0.23 0.41 0.52 6.12 0.00 -1.26 -4.78 105.19 105.96 1jis n GLY 67 Ca 0.02 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.08 1jis n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1jis n ARG 68 N -1.81 0.47 -3.92 1.61 1.85 -1.26 -4.95 116.66 108.66 1jis n ARG 68 Ca 0.00 -1.73 -0.30 0.00 -1.00 0.00 0.00 57.85 54.82 1jis n ARG 68 Cb 0.04 -0.79 -0.14 0.00 -1.05 0.00 0.00 32.46 30.52 1jis n ARG 68 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1jis s THR 69 N -1.03 2.39 0.30 8.89 2.01 -1.26 -4.89 115.64 122.05 1jis s THR 69 Ca 0.16 -3.16 -0.28 0.00 0.31 0.00 0.00 61.69 58.72 1jis s THR 69 Cb 0.15 -2.67 -0.14 0.00 0.01 0.00 0.00 72.50 69.86 1jis s THR 69 CO -0.02 -0.80 1.09 -2.65 -0.69 0.00 0.00 174.62 171.55 1jis n PRO 70 N 3.23 1.57 -2.18 4.92 -0.02 -1.26 -2.38 135.00 138.88 1jis n PRO 70 Ca 0.05 0.55 -0.20 0.00 -2.02 0.00 0.00 63.50 61.89 1jis n PRO 70 Cb 0.33 -1.98 -0.03 0.00 -0.02 0.00 0.00 33.50 31.80 1jis n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jis n GLY 71 N 1.11 0.15 3.90 -1.23 0.00 -1.26 -4.97 105.19 102.90 1jis n GLY 71 Ca 0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 1jis n GLY 71 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jis s SER 72 N -2.22 6.43 0.29 1.61 1.04 -1.00 -5.03 113.70 114.83 1jis s SER 72 Ca 0.00 0.80 0.06 0.00 0.48 0.00 0.00 55.95 57.29 1jis s SER 72 Cb 0.00 -2.18 -0.02 0.00 0.10 0.00 0.00 66.02 63.92 1jis s SER 72 CO 0.00 -0.28 0.41 -0.13 0.98 0.00 0.00 173.24 174.21 1jis s ARG 73 N -3.79 3.22 -0.48 4.02 0.52 0.14 -4.98 118.95 117.59 1jis s ARG 73 Ca 0.45 -0.93 0.08 0.00 -0.52 0.00 0.00 55.73 54.82 1jis s ARG 73 Cb -0.10 -2.82 0.32 0.00 0.52 0.00 0.00 34.95 32.87 1jis s ARG 73 CO 0.32 0.22 0.79 -1.71 0.02 0.00 0.00 175.30 174.94 1jis n ASN 74 N -1.52 2.51 0.04 0.23 5.15 -1.23 -3.83 115.26 116.61 1jis n ASN 74 Ca -0.04 -3.28 0.17 0.00 -0.60 0.00 0.00 54.58 50.82 1jis n ASN 74 Cb 0.58 -0.61 0.65 0.00 -0.53 0.00 0.00 39.78 39.88 1jis n ASN 74 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1jis h LEU 75 N 3.25 0.05 -0.48 1.20 3.38 -1.00 0.12 115.31 121.82 1jis h LEU 75 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1jis h LEU 75 Cb 0.74 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.48 1jis h LEU 75 CO 0.66 0.03 -0.22 0.00 0.09 0.00 0.00 178.44 179.00 1jis n ASN 77 N -0.65 -2.93 -3.74 0.00 2.85 0.41 -4.99 115.26 106.20 1jis n ASN 77 Ca 0.13 -0.86 -0.12 0.00 -0.11 0.00 0.00 54.58 53.62 1jis n ASN 77 Cb 0.34 -4.00 -0.07 0.00 1.24 0.00 0.00 39.78 37.28 1jis n ASN 77 CO 0.00 0.00 0.00 0.27 -2.11 0.00 0.00 177.26 175.42 1jis s ILE 78 N -3.59 0.07 0.35 -1.44 -4.36 -1.26 -5.08 121.20 105.90 1jis s ILE 78 Ca 0.19 -0.61 -0.26 0.00 -0.26 0.00 0.00 60.65 59.71 1jis s ILE 78 Cb -0.05 -0.88 -0.09 0.00 1.25 0.00 0.00 42.46 42.69 1jis s ILE 78 CO 0.82 -0.33 1.06 -2.16 0.24 0.00 0.00 174.94 174.56 1jis s PRO 79 N -2.31 4.35 0.52 0.37 0.04 -1.26 -1.60 135.00 135.11 1jis s PRO 79 Ca -0.07 1.59 0.17 0.00 0.04 0.00 0.00 61.00 62.74 1jis s PRO 79 Cb -0.02 -2.77 1.27 0.00 0.04 0.00 0.00 34.50 33.03 1jis s PRO 79 CO -0.02 0.00 2.12 0.00 0.04 0.00 0.00 177.00 179.15 1jis h SER 81 N 0.02 0.00 0.50 0.00 4.64 -1.91 0.92 113.55 117.72 1jis h SER 81 Ca 0.05 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.35 1jis h SER 81 Cb 0.16 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.25 1jis h SER 81 CO -0.00 0.00 -0.08 0.00 -0.87 0.00 0.00 176.83 175.88 1jis h ALA 82 N 1.86 1.14 0.00 5.18 0.00 -1.68 -2.17 119.26 123.59 1jis h ALA 82 Ca 0.07 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1jis h ALA 82 Cb 0.35 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1jis h ALA 82 CO -0.00 0.10 0.00 1.28 0.00 0.00 0.00 179.25 180.63 1jis n LEU 83 N -3.39 0.00 -0.72 0.00 4.77 0.32 -3.21 117.00 114.77 1jis n LEU 83 Ca -0.01 0.05 0.09 0.00 -0.03 0.00 0.00 56.01 56.11 1jis n LEU 83 Cb 0.24 -0.05 0.07 0.00 -2.33 0.00 0.00 43.42 41.35 1jis n LEU 83 CO 0.28 -0.00 0.51 0.18 -1.33 0.00 0.00 177.39 177.03 1jis n LEU 84 N -1.05 2.48 -4.72 2.23 4.77 -0.81 -3.91 117.00 115.98 1jis n LEU 84 Ca 0.22 -0.97 -0.34 0.00 -0.03 0.00 0.00 56.01 54.89 1jis n LEU 84 Cb 0.13 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.31 1jis n LEU 84 CO 0.18 0.43 0.78 -0.55 -1.33 0.00 0.00 177.39 176.91 1jis s SER 85 N -1.67 4.22 0.41 -1.43 0.15 -1.20 -4.23 113.70 109.95 1jis s SER 85 Ca 0.21 2.29 0.28 0.00 0.70 0.00 0.00 55.95 59.44 1jis s SER 85 Cb 0.16 -2.58 1.07 0.00 -1.71 0.00 0.00 66.02 62.96 1jis s SER 85 CO 0.27 -2.24 1.83 0.77 1.20 0.00 0.00 173.24 175.07 1jis h SER 86 N -0.39 0.00 -3.57 5.45 4.64 -1.94 -3.39 113.55 114.35 1jis h SER 86 Ca -0.47 0.00 -0.63 0.00 -0.47 0.00 0.00 61.79 60.22 1jis h SER 86 Cb 1.29 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.24 1jis h SER 86 CO 0.50 0.00 0.20 -0.62 -0.87 0.00 0.00 176.83 176.04 1jis s ASP 87 N -5.18 6.43 0.00 4.97 -1.08 -1.26 -4.94 116.67 115.62 1jis s ASP 87 Ca 0.04 0.08 0.27 0.00 -0.52 0.00 0.00 52.55 52.42 1jis s ASP 87 Cb 0.09 -2.34 1.59 0.00 -1.46 0.00 0.00 42.92 40.79 1jis s ASP 87 CO 0.51 -0.68 2.00 2.30 0.52 0.00 0.00 175.17 179.82 1jis n ILE 88 N 5.72 0.00 -0.23 4.11 -5.35 -1.26 -4.31 119.36 118.03 1jis n ILE 88 Ca -0.00 0.00 -0.04 0.00 -0.27 0.00 0.00 62.75 62.44 1jis n ILE 88 Cb 0.48 -0.45 0.02 0.00 -1.74 0.00 0.00 39.64 37.95 1jis n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1jis h THR 89 N 0.00 0.15 -0.77 7.28 2.02 -1.94 -0.84 112.91 118.82 1jis h THR 89 Ca 0.00 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.20 1jis h THR 89 Cb 0.00 0.15 -0.04 0.00 -1.74 0.00 0.00 68.15 66.52 1jis h THR 89 CO 0.00 0.00 0.51 0.00 0.37 0.00 0.00 175.52 176.40 1jis h ALA 90 N 1.12 0.99 -0.53 6.16 0.00 -1.87 -0.98 119.26 124.14 1jis h ALA 90 Ca 0.26 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 1jis h ALA 90 Cb 0.56 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1jis h ALA 90 CO -0.73 0.36 0.23 0.77 0.00 0.00 0.00 179.25 179.88 1jis h SER 91 N 1.02 0.72 0.01 0.00 0.02 -1.58 -1.89 113.55 111.85 1jis h SER 91 Ca 0.29 -0.16 -0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1jis h SER 91 Cb -0.08 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.28 1jis h SER 91 CO -0.08 0.68 -0.01 0.58 -1.14 0.00 0.00 176.83 176.86 1jis h VAL 92 N 0.71 1.07 -0.98 2.27 2.07 -0.81 0.66 116.25 121.26 1jis h VAL 92 Ca 0.18 -0.27 0.05 0.00 0.82 0.00 0.00 66.70 67.48 1jis h VAL 92 Cb 0.17 1.26 -0.06 0.00 -1.52 0.00 0.00 31.29 31.14 1jis h VAL 92 CO -0.02 0.07 0.63 0.78 0.02 0.00 0.00 177.57 179.05 1jis h ASN 93 N -0.13 1.03 -0.26 0.57 2.35 -1.10 -0.34 115.58 117.69 1jis h ASN 93 Ca -0.00 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.57 1jis h ASN 93 Cb 0.13 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.28 1jis h ASN 93 CO 0.00 0.68 -0.55 0.00 -1.65 0.00 0.00 177.43 175.92 1jis h ALA 95 N 0.65 1.61 -0.37 0.00 0.00 -0.20 -1.11 119.26 119.84 1jis h ALA 95 Ca 0.01 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 1jis h ALA 95 Cb 1.16 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 1jis h ALA 95 CO 0.12 0.32 0.03 0.87 0.00 0.00 0.00 179.25 180.60 1jis h LYS 96 N 0.54 0.57 -0.16 0.00 1.57 -0.97 -0.65 116.57 117.47 1jis h LYS 96 Ca 0.14 -0.12 -0.14 0.00 -1.87 0.00 0.00 60.65 58.66 1jis h LYS 96 Cb 0.05 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.28 1jis h LYS 96 CO -0.02 0.57 -0.44 0.87 -0.57 0.00 0.00 179.45 179.86 1jis h LYS 97 N 0.55 0.59 -0.08 3.15 1.57 -1.18 -3.10 116.57 118.07 1jis h LYS 97 Ca 0.12 -0.42 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 1jis h LYS 97 Cb 0.30 0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.67 1jis h LYS 97 CO 0.01 1.03 0.05 0.82 -0.57 0.00 0.00 179.45 180.79 1jis h ILE 98 N 0.25 1.03 0.00 1.86 2.04 -0.87 -2.74 117.51 119.08 1jis h ILE 98 Ca -0.01 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.78 1jis h ILE 98 Cb 1.06 0.93 0.00 0.00 -0.74 0.00 0.00 36.82 38.07 1jis h ILE 98 CO 0.10 0.03 0.00 1.62 0.00 0.00 0.00 178.15 179.89 1jis h VAL 99 N 0.10 0.00 -0.02 1.67 3.04 -1.20 -1.71 116.25 118.13 1jis h VAL 99 Ca 0.03 -0.22 0.00 0.00 -1.01 0.00 0.00 66.70 65.50 1jis h VAL 99 Cb 0.00 0.97 0.00 0.00 -2.01 0.00 0.00 31.29 30.26 1jis h VAL 99 CO -0.01 0.00 -0.13 -1.20 -1.01 0.00 0.00 177.57 175.22 1jis n SER 100 N -2.48 1.73 0.15 3.17 7.64 -1.04 -3.72 113.62 119.06 1jis n SER 100 Ca 0.01 -1.43 0.12 0.00 1.01 0.00 0.00 58.87 58.57 1jis n SER 100 Cb 0.19 0.10 0.53 0.00 -1.01 0.00 0.00 64.21 64.03 1jis n SER 100 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1jis n ASP 101 N 0.15 0.64 0.00 6.43 2.03 -0.64 -4.89 116.55 120.27 1jis n ASP 101 Ca 0.15 0.71 0.00 0.00 0.52 0.00 0.00 54.79 56.17 1jis n ASP 101 Cb 0.42 -0.82 0.00 0.00 -0.72 0.00 0.00 41.12 39.99 1jis n ASP 101 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1jis n GLY 102 N -0.51 1.83 1.17 0.27 0.00 -1.26 -4.93 105.19 101.75 1jis n GLY 102 Ca 0.01 -0.39 0.12 0.00 0.00 0.00 0.00 46.02 45.75 1jis n GLY 102 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1jis n ASN 103 N 0.00 3.45 0.00 1.61 3.02 -1.26 -5.06 115.26 117.02 1jis n ASN 103 Ca 0.00 -1.98 0.00 0.00 -0.03 0.00 0.00 54.58 52.57 1jis n ASN 103 Cb 0.00 -0.31 0.00 0.00 -0.61 0.00 0.00 39.78 38.86 1jis n ASN 103 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jis n GLY 104 N 1.52 2.36 0.00 7.41 0.00 -1.24 -2.32 105.19 112.92 1jis n GLY 104 Ca 0.21 -0.44 0.14 0.00 0.00 0.00 0.00 46.02 45.92 1jis n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1jis n MET 105 N 9.37 0.65 0.08 1.61 2.81 -1.26 -3.10 117.12 127.28 1jis n MET 105 Ca 0.00 0.02 0.08 0.00 -1.81 0.00 0.00 57.70 55.98 1jis n MET 105 Cb 0.00 -1.50 0.35 0.00 -0.71 0.00 0.00 33.22 31.36 1jis n MET 105 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1jis n ASN 106 N -1.13 0.32 0.21 7.83 3.02 -0.98 -1.28 115.26 123.25 1jis n ASN 106 Ca 0.17 0.61 0.15 0.00 -0.03 0.00 0.00 54.58 55.48 1jis n ASN 106 Cb 0.15 -0.66 0.69 0.00 -0.61 0.00 0.00 39.78 39.35 1jis n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jis h ALA 107 N 2.19 1.00 -2.89 5.41 0.00 -1.71 -3.38 119.26 119.88 1jis h ALA 107 Ca 0.00 0.00 -0.70 0.00 0.00 0.00 0.00 54.91 54.21 1jis h ALA 107 Cb 0.15 0.00 -0.25 0.00 0.00 0.00 0.00 17.79 17.69 1jis h ALA 107 CO 0.00 0.00 -0.54 -1.58 0.00 0.00 0.00 179.25 177.13 1jis s TRP 108 N -3.61 3.23 0.32 0.00 0.51 -0.40 -4.99 118.94 114.00 1jis s TRP 108 Ca 0.00 -0.97 0.01 0.00 -2.12 0.00 0.00 56.10 53.02 1jis s TRP 108 Cb 0.09 -2.38 0.57 0.00 -0.81 0.00 0.00 33.47 30.94 1jis s TRP 108 CO 0.39 -0.62 1.95 0.28 -0.51 0.00 0.00 176.95 178.44 1jis h VAL 109 N 5.89 1.11 -0.07 4.03 2.07 -1.85 -2.08 116.25 125.34 1jis h VAL 109 Ca -0.27 -0.33 -0.12 0.00 0.82 0.00 0.00 66.70 66.80 1jis h VAL 109 Cb 1.11 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 1jis h VAL 109 CO 0.64 0.18 -0.50 0.00 0.02 0.00 0.00 177.57 177.91 1jis h ALA 110 N 1.54 1.04 -0.16 1.67 0.00 -1.94 -1.31 119.26 120.10 1jis h ALA 110 Ca 0.33 -0.47 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 1jis h ALA 110 Cb 0.08 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1jis h ALA 110 CO -0.10 0.65 -0.07 2.35 0.00 0.00 0.00 179.25 182.08 1jis h TRP 111 N 0.14 0.38 -0.77 0.00 7.01 -1.71 0.29 115.95 121.29 1jis h TRP 111 Ca 0.01 -0.09 -0.00 0.00 2.11 0.00 0.00 58.89 60.91 1jis h TRP 111 Cb 0.93 -0.09 -0.04 0.00 -2.10 0.00 0.00 29.16 27.86 1jis h TRP 111 CO 0.01 0.64 0.46 -0.09 -2.79 0.00 0.00 178.44 176.67 1jis h ARG 112 N 0.01 1.05 0.00 2.65 2.43 -1.28 0.47 114.38 119.71 1jis h ARG 112 Ca 0.04 -0.10 -0.06 0.00 -0.81 0.00 0.00 59.98 59.05 1jis h ARG 112 Cb 0.53 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.85 1jis h ARG 112 CO 0.02 0.74 -0.96 -0.91 -1.51 0.00 0.00 179.97 177.35 1jis h ASN 113 N 1.06 0.00 0.00 -3.80 2.35 -1.18 -3.38 115.58 110.63 1jis h ASN 113 Ca 0.28 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.03 1jis h ASN 113 Cb -0.04 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.33 1jis h ASN 113 CO -0.05 0.21 0.00 0.54 -1.65 0.00 0.00 177.43 176.48 1jis n ARG 114 N -2.83 4.84 -0.01 0.81 1.74 0.10 -4.88 116.66 116.43 1jis n ARG 114 Ca -0.02 -0.01 -0.02 0.00 -0.77 0.00 0.00 57.85 57.02 1jis n ARG 114 Cb 0.65 -0.38 -0.01 0.00 -1.02 0.00 0.00 32.46 31.70 1jis n ARG 114 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1jis n LYS 116 N -2.75 1.49 -1.06 0.00 4.81 0.14 -1.43 118.16 119.35 1jis n LYS 116 Ca -0.05 0.54 -0.02 0.00 -0.87 0.00 0.00 58.31 57.91 1jis n LYS 116 Cb 0.54 -2.24 -0.01 0.00 0.02 0.00 0.00 35.03 33.34 1jis n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1jis n GLY 117 N 3.26 0.54 3.79 3.14 0.00 -1.26 -4.95 105.19 109.71 1jis n GLY 117 Ca 0.20 -0.31 -0.24 0.00 0.00 0.00 0.00 46.02 45.68 1jis n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jis s THR 118 N -1.91 2.33 -1.25 2.61 -4.23 -0.51 -5.02 115.64 107.66 1jis s THR 118 Ca 0.00 -1.58 -0.19 0.00 -1.18 0.00 0.00 61.69 58.74 1jis s THR 118 Cb 0.00 -2.91 0.06 0.00 1.34 0.00 0.00 72.50 70.99 1jis s THR 118 CO 0.00 0.00 1.69 -0.62 -0.54 0.00 0.00 174.62 175.15 1jis s ASP 119 N -4.00 6.75 0.53 3.99 2.15 -1.26 -4.78 116.67 120.04 1jis s ASP 119 Ca 0.42 -2.25 0.34 0.00 0.43 0.00 0.00 52.55 51.49 1jis s ASP 119 Cb 0.01 -2.58 1.55 0.00 -0.30 0.00 0.00 42.92 41.61 1jis s ASP 119 CO 0.24 -1.26 2.02 -0.37 -0.17 0.00 0.00 175.17 175.63 1jis h VAL 120 N 5.81 0.00 -0.02 1.11 -1.51 -1.91 -2.69 116.25 117.04 1jis h VAL 120 Ca 0.40 -0.33 0.01 0.00 -1.23 0.00 0.00 66.70 65.55 1jis h VAL 120 Cb 0.90 1.27 -0.00 0.00 -2.13 0.00 0.00 31.29 31.32 1jis h VAL 120 CO 1.45 0.00 0.02 1.56 -1.23 0.00 0.00 177.57 179.37 1jis h GLN 121 N 0.00 0.00 -0.45 5.19 4.20 -1.88 -1.15 115.11 121.02 1jis h GLN 121 Ca 0.00 0.00 0.13 0.00 0.06 0.00 0.00 58.65 58.84 1jis h GLN 121 Cb 0.35 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.11 1jis h GLN 121 CO 0.00 0.00 0.33 0.00 -0.67 0.00 0.00 178.83 178.49 1jis h ALA 122 N 1.98 2.42 0.00 3.87 0.00 -1.88 -1.54 119.26 124.11 1jis h ALA 122 Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1jis h ALA 122 Cb 0.06 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1jis h ALA 122 CO -0.00 -0.56 0.00 0.91 0.00 0.00 0.00 179.25 179.60 1jis n TRP 123 N -4.38 0.74 0.05 0.00 7.02 -0.43 -2.84 117.44 117.59 1jis n TRP 123 Ca 0.08 0.29 0.01 0.00 -1.02 0.00 0.00 57.50 56.86 1jis n TRP 123 Cb 0.53 -0.97 0.02 0.00 -2.42 0.00 0.00 31.31 28.47 1jis n TRP 123 CO 0.00 0.00 0.00 0.44 -2.02 0.00 0.00 177.69 176.11 1jis n ILE 124 N -2.17 0.34 -1.87 -0.99 -5.35 -0.59 -4.81 119.36 103.90 1jis n ILE 124 Ca 0.02 -0.67 -0.39 0.00 -0.27 0.00 0.00 62.75 61.44 1jis n ILE 124 Cb 0.22 0.86 0.02 0.00 -1.74 0.00 0.00 39.64 39.00 1jis n ILE 124 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1jis s ARG 125 N -0.46 3.51 0.00 6.28 1.70 -1.12 -2.09 118.95 126.78 1jis s ARG 125 Ca 0.03 2.24 0.00 0.00 -0.47 0.00 0.00 55.73 57.54 1jis s ARG 125 Cb 0.02 -2.48 0.00 0.00 -0.57 0.00 0.00 34.95 31.92 1jis s ARG 125 CO 0.03 -0.90 0.00 0.41 -1.08 0.00 0.00 175.30 173.76 1jis n GLY 126 N 0.64 1.83 3.78 3.88 0.00 -1.26 -5.00 105.19 109.06 1jis n GLY 126 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 1jis n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jis s ARG 128 N -0.73 3.42 0.00 0.00 3.52 -1.26 -5.12 118.95 118.77 1jis s ARG 128 Ca 0.34 -1.18 0.04 0.00 -0.13 0.00 0.00 55.73 54.80 1jis s ARG 128 Cb -0.21 -4.75 0.03 0.00 -1.56 0.00 0.00 34.95 28.46 1jis s ARG 128 CO 0.22 -1.93 0.61 1.28 -0.81 0.00 0.00 175.30 174.67