#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jyb s SER 3 N 0.00 4.64 -0.08 -5.58 0.15 -1.26 -4.98 113.70 106.59 1jyb s SER 3 Ca 0.00 2.03 0.10 0.00 0.70 0.00 0.00 55.95 58.78 1jyb s SER 3 Cb 0.00 -2.55 -0.24 0.00 -1.71 0.00 0.00 66.02 61.52 1jyb s SER 3 CO 0.00 -1.95 0.52 -0.11 1.20 0.00 0.00 173.24 172.90 1jyb n LEU 4 N -2.88 1.07 -4.68 3.45 7.94 -1.26 -4.99 117.00 115.64 1jyb n LEU 4 Ca 0.11 0.32 -0.46 0.00 -1.11 0.00 0.00 56.01 54.86 1jyb n LEU 4 Cb 0.52 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 44.43 1jyb n LEU 4 CO 0.49 0.48 1.39 0.29 -1.11 0.00 0.00 177.39 178.93 1jyb n LYS 5 N -3.07 2.30 -1.82 1.96 4.76 -1.26 -2.82 118.16 118.21 1jyb n LYS 5 Ca -0.22 0.84 0.00 0.00 -2.87 0.00 0.00 58.31 56.06 1jyb n LYS 5 Cb 1.06 -2.67 0.00 0.00 -1.84 0.00 0.00 35.03 31.58 1jyb n LYS 5 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1jyb n GLY 6 N 4.02 0.51 3.76 0.72 0.00 -1.26 -5.07 105.19 107.86 1jyb n GLY 6 Ca 0.20 -0.82 -0.23 0.00 0.00 0.00 0.00 46.02 45.17 1jyb n GLY 6 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jyb s SER 7 N -2.92 4.67 0.18 1.61 1.04 -1.13 -5.03 113.70 112.13 1jyb s SER 7 Ca 0.00 -0.85 -0.01 0.00 0.48 0.00 0.00 55.95 55.57 1jyb s SER 7 Cb 0.00 -0.64 0.07 0.00 0.10 0.00 0.00 66.02 65.54 1jyb s SER 7 CO 0.00 -0.42 1.44 0.03 0.98 0.00 0.00 173.24 175.28 1jyb h ARG 8 N 1.44 0.40 -0.80 4.02 3.08 -1.96 -3.22 114.38 117.34 1jyb h ARG 8 Ca -0.43 -0.33 0.03 0.00 0.07 0.00 0.00 59.98 59.32 1jyb h ARG 8 Cb 1.25 0.07 -0.04 0.00 0.08 0.00 0.00 29.97 31.33 1jyb h ARG 8 CO 0.64 0.96 0.53 1.15 -1.07 0.00 0.00 179.97 182.18 1jyb h THR 9 N 0.28 1.14 -0.02 2.04 2.02 -1.91 -1.05 112.91 115.40 1jyb h THR 9 Ca -0.03 -0.34 0.03 0.00 0.77 0.00 0.00 66.41 66.84 1jyb h THR 9 Cb 1.29 0.05 -0.04 0.00 -1.74 0.00 0.00 68.15 67.71 1jyb h THR 9 CO 0.12 0.18 -0.16 -0.08 0.37 0.00 0.00 175.52 175.95 1jyb h GLU 10 N 1.00 -0.25 0.00 6.66 4.81 -1.77 0.79 114.58 125.82 1jyb h GLU 10 Ca 0.31 0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.52 1jyb h GLU 10 Cb 0.01 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 1jyb h GLU 10 CO -0.09 -0.17 -0.21 0.87 -0.73 0.00 0.00 179.01 178.69 1jyb h LYS 11 N -0.26 0.00 0.05 1.92 1.57 -1.41 -2.68 116.57 115.76 1jyb h LYS 11 Ca 0.06 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.59 1jyb h LYS 11 Cb 0.34 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.66 1jyb h LYS 11 CO -0.18 0.21 -1.07 -0.91 -0.57 0.00 0.00 179.45 176.93 1jyb h ASN 12 N 0.00 0.60 -0.43 0.86 2.35 -0.18 -1.19 115.58 117.59 1jyb h ASN 12 Ca -0.00 -0.52 -0.02 0.00 -0.55 0.00 0.00 56.30 55.21 1jyb h ASN 12 Cb 0.46 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.62 1jyb h ASN 12 CO 0.03 1.35 0.20 0.40 -1.65 0.00 0.00 177.43 177.75 1jyb h ILE 13 N 0.21 1.19 -0.69 2.81 2.04 -0.69 0.02 117.51 122.40 1jyb h ILE 13 Ca -0.12 -0.54 -0.07 0.00 1.00 0.00 0.00 64.86 65.13 1jyb h ILE 13 Cb 1.74 0.75 -0.03 0.00 -0.74 0.00 0.00 36.82 38.54 1jyb h ILE 13 CO 0.19 0.20 0.16 0.25 0.00 0.00 0.00 178.15 178.96 1jyb h LEU 14 N 0.55 1.05 -0.87 1.44 6.46 -1.39 0.46 115.31 123.01 1jyb h LEU 14 Ca 0.15 -0.22 -0.06 0.00 -0.12 0.00 0.00 57.88 57.63 1jyb h LEU 14 Cb 0.14 -0.28 -0.03 0.00 -0.73 0.00 0.00 40.66 39.77 1jyb h LEU 14 CO -0.02 1.01 0.18 0.74 -0.62 0.00 0.00 178.44 179.74 1jyb h THR 15 N 1.05 1.25 -0.19 1.05 2.02 -0.76 -1.00 112.91 116.33 1jyb h THR 15 Ca 0.22 -0.88 -0.05 0.00 0.77 0.00 0.00 66.41 66.46 1jyb h THR 15 Cb 0.37 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 1jyb h THR 15 CO 0.00 0.34 -0.08 0.00 0.37 0.00 0.00 175.52 176.16 1jyb h ALA 16 N 1.21 0.27 -0.62 6.16 0.00 -0.28 -1.55 119.26 124.45 1jyb h ALA 16 Ca 0.21 -0.27 0.09 0.00 0.00 0.00 0.00 54.91 54.94 1jyb h ALA 16 Cb 0.31 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 17.97 1jyb h ALA 16 CO -0.00 0.07 0.25 0.35 0.00 0.00 0.00 179.25 179.92 1jyb h PHE 17 N 0.09 0.43 -0.46 0.00 3.57 -0.67 0.21 116.94 120.11 1jyb h PHE 17 Ca 0.04 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.51 1jyb h PHE 17 Cb 0.55 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.17 1jyb h PHE 17 CO 0.06 0.12 0.03 0.00 -2.23 0.00 0.00 178.31 176.30 1jyb h ALA 18 N 1.41 1.19 -0.08 2.41 0.00 -0.87 0.44 119.26 123.76 1jyb h ALA 18 Ca 0.31 -0.23 -0.23 0.00 0.00 0.00 0.00 54.91 54.76 1jyb h ALA 18 Cb 0.36 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 17.97 1jyb h ALA 18 CO -0.29 0.53 -0.85 0.78 0.00 0.00 0.00 179.25 179.42 1jyb h GLY 19 N 0.95 0.71 1.55 0.00 0.00 -0.81 -2.90 103.07 102.56 1jyb h GLY 19 Ca 0.14 -1.08 -0.15 0.00 0.00 0.00 0.00 47.33 46.25 1jyb h GLY 19 CO 0.01 0.96 -0.52 0.83 0.00 0.00 0.00 176.54 177.82 1jyb h GLU 20 N 0.41 0.48 -0.71 4.80 4.39 -0.29 -1.34 114.58 122.32 1jyb h GLU 20 Ca -0.07 -0.29 -0.06 0.00 0.34 0.00 0.00 59.36 59.29 1jyb h GLU 20 Cb 1.48 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 30.12 1jyb h GLU 20 CO 0.16 0.88 0.22 0.77 -1.16 0.00 0.00 179.01 179.89 1jyb h SER 21 N 0.37 1.04 0.02 1.42 0.02 -0.98 -0.59 113.55 114.85 1jyb h SER 21 Ca 0.01 -0.21 -0.14 0.00 -0.84 0.00 0.00 61.79 60.61 1jyb h SER 21 Cb 1.04 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 63.30 1jyb h SER 21 CO 0.09 0.97 -0.46 1.56 -1.14 0.00 0.00 176.83 177.85 1jyb h GLN 22 N 1.05 0.52 -0.58 3.45 4.20 -1.28 -3.04 115.11 119.43 1jyb h GLN 22 Ca 0.23 -0.29 -0.07 0.00 0.06 0.00 0.00 58.65 58.58 1jyb h GLN 22 Cb 0.30 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.08 1jyb h GLN 22 CO -0.01 0.88 0.09 0.00 -0.67 0.00 0.00 178.83 179.12 1jyb h ALA 23 N 1.08 0.77 -0.82 3.87 0.00 -0.94 0.32 119.26 123.54 1jyb h ALA 23 Ca 0.03 -0.25 0.14 0.00 0.00 0.00 0.00 54.91 54.82 1jyb h ALA 23 Cb 0.97 -0.22 -0.09 0.00 0.00 0.00 0.00 17.79 18.45 1jyb h ALA 23 CO 0.09 0.52 0.41 -0.09 0.00 0.00 0.00 179.25 180.17 1jyb h ARG 24 N 0.86 0.57 0.02 0.00 2.43 -1.09 0.36 114.38 117.53 1jyb h ARG 24 Ca 0.18 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.31 1jyb h ARG 24 Cb 0.42 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 1jyb h ARG 24 CO 0.01 0.38 -0.01 -0.91 -1.51 0.00 0.00 179.97 177.93 1jyb h ASN 25 N 0.59 -0.02 -0.63 -3.80 -0.26 -1.26 -2.39 115.58 107.81 1jyb h ASN 25 Ca 0.44 -0.59 0.06 0.00 -0.56 0.00 0.00 56.30 55.66 1jyb h ASN 25 Cb 0.63 0.01 -0.05 0.00 -1.06 0.00 0.00 38.32 37.84 1jyb h ASN 25 CO -0.36 0.59 0.33 0.03 -1.06 0.00 0.00 177.43 176.96 1jyb h ARG 26 N -0.64 0.59 -0.15 0.81 3.08 -0.61 -1.41 114.38 116.05 1jyb h ARG 26 Ca -0.00 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 59.97 1jyb h ARG 26 Cb 0.61 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.51 1jyb h ARG 26 CO 0.00 0.39 -0.11 1.88 -1.07 0.00 0.00 179.97 181.06 1jyb h TYR 27 N 0.61 0.24 -0.09 3.04 0.05 -0.93 0.43 116.97 120.32 1jyb h TYR 27 Ca 0.28 -0.02 -0.16 0.00 0.05 0.00 0.00 58.73 58.88 1jyb h TYR 27 Cb 0.20 -0.07 -0.01 0.00 1.01 0.00 0.00 36.73 37.87 1jyb h TYR 27 CO -0.09 0.34 -0.63 -0.91 -1.05 0.00 0.00 178.16 175.82 1jyb h ASN 28 N 0.22 0.37 -0.14 3.88 -0.26 -0.74 0.15 115.58 119.06 1jyb h ASN 28 Ca 0.05 -0.22 -0.04 0.00 -0.56 0.00 0.00 56.30 55.52 1jyb h ASN 28 Cb 0.34 -0.11 -0.00 0.00 -1.06 0.00 0.00 38.32 37.49 1jyb h ASN 28 CO 0.02 0.91 -0.07 1.88 -1.06 0.00 0.00 177.43 179.10 1jyb h TYR 29 N 0.24 0.35 -0.79 1.19 0.05 -0.63 -1.82 116.97 115.55 1jyb h TYR 29 Ca -0.01 -0.09 0.01 0.00 0.05 0.00 0.00 58.73 58.69 1jyb h TYR 29 Cb 1.16 -0.08 -0.04 0.00 1.01 0.00 0.00 36.73 38.78 1jyb h TYR 29 CO 0.03 0.63 0.53 0.74 -1.05 0.00 0.00 178.16 179.04 1jyb h PHE 30 N -0.04 0.99 -0.95 4.88 0.04 -0.84 -1.28 116.94 119.74 1jyb h PHE 30 Ca 0.03 0.02 0.05 0.00 2.80 0.00 0.00 57.97 60.88 1jyb h PHE 30 Cb 0.54 -0.33 -0.06 0.00 2.20 0.00 0.00 35.95 38.29 1jyb h PHE 30 CO 0.07 0.62 0.61 0.78 -0.60 0.00 0.00 178.31 179.79 1jyb h GLY 31 N 1.06 1.43 1.04 -1.45 0.00 -0.30 -0.72 103.07 104.13 1jyb h GLY 31 Ca 0.29 -0.46 -0.14 0.00 0.00 0.00 0.00 47.33 47.02 1jyb h GLY 31 CO -0.07 0.35 -0.37 -1.33 0.00 0.00 0.00 176.54 175.12 1jyb h GLY 32 N 1.15 0.87 1.27 4.60 0.00 -0.42 -2.76 103.07 107.78 1jyb h GLY 32 Ca 0.40 -0.92 -0.11 0.00 0.00 0.00 0.00 47.33 46.70 1jyb h GLY 32 CO -0.15 0.83 -0.16 -1.61 0.00 0.00 0.00 176.54 175.45 1jyb h GLN 33 N 0.56 0.85 -0.29 4.80 5.75 -0.96 -2.30 115.11 123.51 1jyb h GLN 33 Ca 0.04 -0.32 -0.04 0.00 -0.15 0.00 0.00 58.65 58.18 1jyb h GLN 33 Cb 0.96 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 29.45 1jyb h GLN 33 CO 0.09 0.95 0.01 0.00 -2.65 0.00 0.00 178.83 177.23 1jyb h ALA 34 N 1.06 1.47 -0.42 3.38 0.00 -1.08 0.33 119.26 124.00 1jyb h ALA 34 Ca 0.11 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1jyb h ALA 34 Cb 0.69 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1jyb h ALA 34 CO 0.05 0.38 0.10 -0.22 0.00 0.00 0.00 179.25 179.56 1jyb h LYS 35 N 0.43 0.67 0.00 0.00 3.64 -1.20 -1.16 116.57 118.95 1jyb h LYS 35 Ca 0.10 -0.16 -0.05 0.00 -1.27 0.00 0.00 60.65 59.27 1jyb h LYS 35 Cb 0.27 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 1jyb h LYS 35 CO 0.01 0.69 -0.22 0.87 -2.27 0.00 0.00 179.45 178.52 1jyb h LYS 36 N 0.54 0.00 0.00 1.90 1.57 -0.76 -2.67 116.57 117.14 1jyb h LYS 36 Ca 0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1jyb h LYS 36 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.63 1jyb h LYS 36 CO 0.00 0.22 0.00 -0.25 -0.57 0.00 0.00 179.45 178.85 1jyb n ASP 37 N -3.40 0.00 0.00 0.86 8.00 0.02 -4.92 116.55 117.11 1jyb n ASP 37 Ca 0.00 0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.51 1jyb n ASP 37 Cb 0.42 -0.33 0.00 0.00 -0.02 0.00 0.00 41.12 41.19 1jyb n ASP 37 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jyb n GLY 38 N 1.25 0.73 2.93 0.44 0.00 -1.01 -5.05 105.19 104.49 1jyb n GLY 38 Ca 0.12 -0.50 -0.32 0.00 0.00 0.00 0.00 46.02 45.32 1jyb n GLY 38 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1jyb n PHE 39 N -2.45 3.72 -0.20 1.61 3.72 -0.47 -4.24 117.46 119.14 1jyb n PHE 39 Ca 0.00 -4.12 -0.09 0.00 -0.05 0.00 0.00 57.45 53.19 1jyb n PHE 39 Cb 0.00 -0.89 0.02 0.00 -0.94 0.00 0.00 39.48 37.68 1jyb n PHE 39 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 1jyb h VAL 40 N 3.99 1.26 -0.59 -4.37 2.07 -1.71 -1.35 116.25 115.55 1jyb h VAL 40 Ca 0.17 -1.09 -0.05 0.00 0.82 0.00 0.00 66.70 66.55 1jyb h VAL 40 Cb 0.76 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 1jyb h VAL 40 CO 0.84 0.39 0.18 -0.61 0.02 0.00 0.00 177.57 178.39 1jyb h GLN 41 N 0.89 0.93 -0.39 1.57 4.15 -1.86 -1.49 115.11 118.91 1jyb h GLN 41 Ca 0.17 -0.20 -0.02 0.00 0.77 0.00 0.00 58.65 59.36 1jyb h GLN 41 Cb 0.51 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 28.05 1jyb h GLN 41 CO 0.02 0.83 0.16 0.82 -1.93 0.00 0.00 178.83 178.73 1jyb h ILE 42 N 0.84 1.20 -0.68 2.39 2.04 -1.90 -1.87 117.51 119.53 1jyb h ILE 42 Ca 0.19 -0.60 0.14 0.00 1.00 0.00 0.00 64.86 65.59 1jyb h ILE 42 Cb 0.30 0.86 -0.11 0.00 -0.74 0.00 0.00 36.82 37.13 1jyb h ILE 42 CO -0.00 0.22 0.09 -1.28 0.00 0.00 0.00 178.15 177.18 1jyb h SER 43 N 0.49 -0.12 0.93 1.72 0.87 -0.90 -1.12 113.55 115.41 1jyb h SER 43 Ca 0.13 0.15 -0.08 0.00 -1.23 0.00 0.00 61.79 60.76 1jyb h SER 43 Cb 0.19 0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.37 1jyb h SER 43 CO -0.01 -0.07 -0.36 0.44 -0.53 0.00 0.00 176.83 176.29 1jyb h ASP 44 N 0.20 0.00 -0.21 6.23 3.32 -1.08 -1.68 116.42 123.20 1jyb h ASP 44 Ca 0.37 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 57.25 1jyb h ASP 44 Cb 0.62 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.17 1jyb h ASP 44 CO -0.52 0.36 -0.54 0.40 -1.72 0.00 0.00 179.24 177.23 1jyb h ILE 45 N 0.00 1.30 -0.23 0.35 5.03 -0.40 0.75 117.51 124.31 1jyb h ILE 45 Ca -0.00 -1.75 0.04 0.00 -0.12 0.00 0.00 64.86 63.03 1jyb h ILE 45 Cb 0.93 1.86 -0.04 0.00 -3.03 0.00 0.00 36.82 36.53 1jyb h ILE 45 CO 0.05 0.55 -0.04 -0.26 -0.68 0.00 0.00 178.15 177.77 1jyb h PHE 46 N 0.44 -0.09 -0.54 1.37 0.04 -1.07 0.25 116.94 117.34 1jyb h PHE 46 Ca -0.01 0.02 -0.08 0.00 2.80 0.00 0.00 57.97 60.70 1jyb h PHE 46 Cb 1.15 0.08 -0.02 0.00 2.20 0.00 0.00 35.95 39.36 1jyb h PHE 46 CO 0.09 -0.08 0.02 0.00 -0.60 0.00 0.00 178.31 177.74 1jyb h ALA 47 N 1.22 1.02 -0.18 2.45 0.00 -1.18 0.13 119.26 122.72 1jyb h ALA 47 Ca 0.11 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 1jyb h ALA 47 Cb 0.16 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1jyb h ALA 47 CO -0.23 0.61 0.04 1.49 0.00 0.00 0.00 179.25 181.17 1jyb h GLU 48 N 0.84 0.29 -0.87 0.00 4.81 -0.39 -2.04 114.58 117.22 1jyb h GLU 48 Ca 0.16 -0.07 0.01 0.00 -0.13 0.00 0.00 59.36 59.33 1jyb h GLU 48 Cb 0.47 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.77 1jyb h GLU 48 CO 0.02 0.43 0.58 1.15 -0.73 0.00 0.00 179.01 180.45 1jyb h THR 49 N 0.11 1.23 -0.55 0.32 2.02 -0.03 -0.71 112.91 115.29 1jyb h THR 49 Ca 0.06 -0.41 0.08 0.00 0.77 0.00 0.00 66.41 66.91 1jyb h THR 49 Cb 0.27 -0.06 -0.07 0.00 -1.74 0.00 0.00 68.15 66.55 1jyb h THR 49 CO 0.00 0.22 0.19 0.00 0.37 0.00 0.00 175.52 176.30 1jyb h ALA 50 N 1.32 0.69 -0.61 6.16 0.00 -0.65 0.60 119.26 126.76 1jyb h ALA 50 Ca 0.32 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.27 1jyb h ALA 50 Cb -0.13 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1jyb h ALA 50 CO -0.07 -0.21 0.23 -0.44 0.00 0.00 0.00 179.25 178.76 1jyb h ASP 51 N 0.37 0.82 0.08 0.00 3.32 -0.62 -1.10 116.42 119.28 1jyb h ASP 51 Ca 0.27 -0.11 -0.17 0.00 0.02 0.00 0.00 57.03 57.04 1jyb h ASP 51 Cb 0.32 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 1jyb h ASP 51 CO -0.28 0.74 -0.59 1.56 -1.72 0.00 0.00 179.24 178.95 1jyb h GLN 52 N 0.88 0.52 -0.28 3.56 4.20 -0.33 -2.35 115.11 121.30 1jyb h GLN 52 Ca 0.21 -0.35 -0.02 0.00 0.06 0.00 0.00 58.65 58.55 1jyb h GLN 52 Cb 0.19 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.00 1jyb h GLN 52 CO -0.02 0.96 0.07 0.93 -0.67 0.00 0.00 178.83 180.10 1jyb h GLU 53 N 0.39 0.40 -0.94 1.46 4.39 -0.04 -1.18 114.58 119.06 1jyb h GLU 53 Ca -0.00 -0.05 0.07 0.00 0.34 0.00 0.00 59.36 59.71 1jyb h GLU 53 Cb 1.14 -0.07 -0.07 0.00 -0.10 0.00 0.00 28.75 29.65 1jyb h GLU 53 CO 0.11 0.37 0.60 -0.09 -1.16 0.00 0.00 179.01 178.83 1jyb h ARG 54 N 0.40 1.05 0.01 2.33 2.43 -0.70 -1.89 114.38 118.01 1jyb h ARG 54 Ca 0.10 -0.06 -0.20 0.00 -0.81 0.00 0.00 59.98 59.01 1jyb h ARG 54 Cb 0.15 -0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 29.44 1jyb h ARG 54 CO -0.00 0.69 -0.93 0.93 -1.51 0.00 0.00 179.97 179.15 1jyb h GLU 55 N 1.08 0.05 -0.34 0.20 4.39 -0.97 -0.55 114.58 118.43 1jyb h GLU 55 Ca 0.41 -0.07 -0.11 0.00 0.34 0.00 0.00 59.36 59.93 1jyb h GLU 55 Cb 0.19 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.86 1jyb h GLU 55 CO -0.18 0.94 -0.23 0.45 -1.16 0.00 0.00 179.01 178.83 1jyb h HIS 56 N 0.02 0.88 -0.24 4.33 3.86 -1.28 -2.43 115.15 120.30 1jyb h HIS 56 Ca -0.02 -0.24 -0.05 0.00 -1.16 0.00 0.00 60.37 58.90 1jyb h HIS 56 Cb 1.62 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 29.88 1jyb h HIS 56 CO 0.01 0.98 -0.06 0.00 0.86 0.00 0.00 177.93 179.72 1jyb h ALA 57 N 0.76 1.45 -0.31 2.45 0.00 -1.27 -2.74 119.26 119.60 1jyb h ALA 57 Ca 0.07 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 1jyb h ALA 57 Cb 0.79 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1jyb h ALA 57 CO 0.06 0.39 -0.08 -0.22 0.00 0.00 0.00 179.25 179.40 1jyb h LYS 58 N 0.36 0.60 -0.67 0.00 3.64 -0.96 -0.93 116.57 118.61 1jyb h LYS 58 Ca 0.08 -0.23 -0.03 0.00 -1.27 0.00 0.00 60.65 59.20 1jyb h LYS 58 Cb 0.34 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.10 1jyb h LYS 58 CO 0.02 0.79 0.29 -0.09 -2.27 0.00 0.00 179.45 178.19 1jyb h ARG 59 N 0.37 0.97 0.57 1.90 9.65 -1.27 -1.78 114.38 124.79 1jyb h ARG 59 Ca 0.08 -0.14 -0.03 0.00 -1.10 0.00 0.00 59.98 58.79 1jyb h ARG 59 Cb 0.57 -0.17 0.01 0.00 -1.39 0.00 0.00 29.97 28.98 1jyb h ARG 59 CO 0.03 0.77 -0.28 -0.07 2.80 0.00 0.00 179.97 183.22 1jyb h LEU 60 N 0.96 -0.65 -1.09 3.80 3.38 -1.42 -3.21 115.31 117.07 1jyb h LEU 60 Ca 0.23 -0.04 0.19 0.00 0.09 0.00 0.00 57.88 58.35 1jyb h LEU 60 Cb 0.14 0.17 -0.10 0.00 0.09 0.00 0.00 40.66 40.96 1jyb h LEU 60 CO -0.03 -0.30 0.61 0.15 0.09 0.00 0.00 178.44 178.97 1jyb h PHE 61 N -1.04 1.00 0.00 1.13 3.57 -1.08 -0.74 116.94 119.77 1jyb h PHE 61 Ca -0.08 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.45 1jyb h PHE 61 Cb 0.65 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 39.09 1jyb h PHE 61 CO 0.00 0.23 0.00 1.63 -2.23 0.00 0.00 178.31 177.95 1jyb n LYS 62 N -4.72 0.03 0.03 1.11 5.02 -0.68 -1.66 118.16 117.29 1jyb n LYS 62 Ca 0.23 0.31 -0.08 0.00 -2.02 0.00 0.00 58.31 56.75 1jyb n LYS 62 Cb 0.59 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 33.97 1jyb n LYS 62 CO 0.00 0.00 0.00 0.74 -0.52 0.00 0.00 177.40 177.62 1jyb h PHE 63 N 0.00 0.02 -4.05 2.13 0.04 -1.24 -3.48 116.94 110.36 1jyb h PHE 63 Ca 0.00 -0.01 -0.53 0.00 2.80 0.00 0.00 57.97 60.23 1jyb h PHE 63 Cb 0.13 -0.00 0.10 0.00 2.20 0.00 0.00 35.95 38.38 1jyb h PHE 63 CO 0.00 1.01 0.52 -0.51 -0.60 0.00 0.00 178.31 178.73 1jyb s LEU 64 N -6.46 3.84 0.00 1.54 1.43 -0.67 -4.95 118.68 113.42 1jyb s LEU 64 Ca -0.02 2.47 0.00 0.00 -1.03 0.00 0.00 54.13 55.55 1jyb s LEU 64 Cb 0.09 -4.38 0.00 0.00 0.03 0.00 0.00 46.19 41.93 1jyb s LEU 64 CO 0.82 -1.35 0.64 -1.84 0.23 0.00 0.00 176.35 174.86 1jyb n GLU 65 N -1.04 1.05 0.00 1.70 0.28 -1.26 -5.07 120.64 116.30 1jyb n GLU 65 Ca 0.10 -0.83 0.00 0.00 -0.16 0.00 0.00 57.16 56.27 1jyb n GLU 65 Cb 0.48 -0.72 0.00 0.00 1.43 0.00 0.00 31.44 32.62 1jyb n GLU 65 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1jyb n GLY 66 N -0.19 5.60 0.00 -1.84 0.00 -1.26 -5.12 105.19 102.38 1jyb n GLY 66 Ca 0.00 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.49 1jyb n GLY 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jyb n GLY 67 N 2.30 0.79 3.84 -0.02 0.00 -1.26 -5.07 105.19 105.77 1jyb n GLY 67 Ca 0.00 -0.32 -0.33 0.00 0.00 0.00 0.00 46.02 45.38 1jyb n GLY 67 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1jyb s ASP 68 N -1.00 6.82 -0.15 1.61 1.11 -1.26 -5.08 116.67 118.72 1jyb s ASP 68 Ca 0.00 1.42 -0.08 0.00 0.18 0.00 0.00 52.55 54.07 1jyb s ASP 68 Cb 0.00 -2.43 0.06 0.00 1.07 0.00 0.00 42.92 41.62 1jyb s ASP 68 CO 0.00 -0.27 0.36 -0.22 1.18 0.00 0.00 175.17 176.22 1jyb s LEU 69 N -3.09 0.05 0.03 1.23 2.96 -1.26 -5.14 118.68 113.45 1jyb s LEU 69 Ca 0.57 0.78 -0.22 0.00 -0.22 0.00 0.00 54.13 55.04 1jyb s LEU 69 Cb -0.10 1.16 -0.06 0.00 0.50 0.00 0.00 46.19 47.69 1jyb s LEU 69 CO 0.16 -0.19 0.66 -0.70 -1.32 0.00 0.00 176.35 174.97 1jyb s GLU 70 N 1.39 4.38 -0.02 1.98 2.12 -1.26 -5.07 118.70 122.23 1jyb s GLU 70 Ca -0.09 0.87 0.07 0.00 0.36 0.00 0.00 54.97 56.17 1jyb s GLU 70 Cb -0.09 -3.34 -0.02 0.00 0.26 0.00 0.00 34.13 30.94 1jyb s GLU 70 CO -0.11 0.36 -0.22 0.42 -0.54 0.00 0.00 175.26 175.17 1jyb s ILE 71 N -0.24 2.45 -0.15 -3.70 1.01 -1.26 -5.03 121.20 114.28 1jyb s ILE 71 Ca 0.34 -1.01 0.02 0.00 0.00 0.00 0.00 60.65 59.99 1jyb s ILE 71 Cb -0.19 -1.91 0.01 0.00 0.01 0.00 0.00 42.46 40.37 1jyb s ILE 71 CO 0.20 0.54 -0.20 -0.69 0.00 0.00 0.00 174.94 174.79 1jyb s VAL 72 N -0.69 2.21 -0.19 2.92 1.01 -1.26 -5.12 120.40 119.27 1jyb s VAL 72 Ca 0.11 -0.93 -0.28 0.00 0.00 0.00 0.00 61.98 60.88 1jyb s VAL 72 Cb -0.10 -1.90 0.11 0.00 0.00 0.00 0.00 36.38 34.49 1jyb s VAL 72 CO 0.00 0.54 0.93 0.00 0.00 0.00 0.00 175.10 176.58 1jyb s ALA 73 N 0.85 -1.91 -0.12 5.51 0.00 -1.26 -5.10 121.76 119.72 1jyb s ALA 73 Ca -0.06 1.67 -0.07 0.00 0.00 0.00 0.00 51.96 53.50 1jyb s ALA 73 Cb -0.15 -0.87 -0.04 0.00 0.00 0.00 0.00 23.12 22.06 1jyb s ALA 73 CO -0.02 -0.30 0.14 0.00 0.00 0.00 0.00 175.76 175.58 1jyb s ALA 74 N -0.57 3.87 0.12 0.00 0.00 -1.26 -5.11 121.76 118.81 1jyb s ALA 74 Ca -0.02 -0.64 0.05 0.00 0.00 0.00 0.00 51.96 51.35 1jyb s ALA 74 Cb -0.02 -1.98 -0.04 0.00 0.00 0.00 0.00 23.12 21.08 1jyb s ALA 74 CO 0.00 0.59 -0.11 -0.06 0.00 0.00 0.00 175.76 176.18 1jyb s PHE 75 N -0.95 1.23 -0.03 0.00 0.08 -1.26 -5.09 117.98 111.97 1jyb s PHE 75 Ca 0.15 -0.65 -0.30 0.00 0.12 0.00 0.00 56.93 56.24 1jyb s PHE 75 Cb -0.12 -0.65 -0.06 0.00 -0.57 0.00 0.00 43.02 41.62 1jyb s PHE 75 CO 0.04 0.07 1.65 -1.25 -0.10 0.00 0.00 175.22 175.63 1jyb s PRO 76 N -3.04 4.19 -0.89 0.24 0.04 -1.26 -4.85 135.00 129.43 1jyb s PRO 76 Ca 0.10 2.21 -0.05 0.00 0.04 0.00 0.00 61.00 63.30 1jyb s PRO 76 Cb -0.02 -3.90 0.06 0.00 0.04 0.00 0.00 34.50 30.68 1jyb s PRO 76 CO 0.01 -0.81 2.65 0.00 0.04 0.00 0.00 177.00 178.89 1jyb n ALA 77 N 6.76 6.67 0.00 8.56 0.00 -1.26 -4.89 120.51 136.36 1jyb n ALA 77 Ca 0.17 -3.48 0.00 0.00 0.00 0.00 0.00 53.44 50.12 1jyb n ALA 77 Cb 0.42 -2.50 0.00 0.00 0.00 0.00 0.00 19.45 17.37 1jyb n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jyb n GLY 78 N 1.49 0.29 1.23 0.00 0.00 -1.26 -5.10 105.19 101.83 1jyb n GLY 78 Ca 0.56 -2.15 0.00 0.00 0.00 0.00 0.00 46.02 44.43 1jyb n GLY 78 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1jyb n ILE 79 N 0.00 -5.84 -3.66 -0.61 2.08 -1.26 -5.08 119.36 104.99 1jyb n ILE 79 Ca 0.00 1.10 -0.39 0.00 0.56 0.00 0.00 62.75 64.03 1jyb n ILE 79 Cb 0.00 -3.60 -0.12 0.00 -0.75 0.00 0.00 39.64 35.18 1jyb n ILE 79 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 1jyb s ILE 80 N -0.18 4.58 0.00 1.39 1.01 -1.26 -5.01 121.20 121.73 1jyb s ILE 80 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 60.65 60.21 1jyb s ILE 80 Cb 0.00 -3.34 0.00 0.00 0.01 0.00 0.00 42.46 39.13 1jyb s ILE 80 CO 0.00 0.06 0.00 0.00 0.00 0.00 0.00 174.94 175.00 1jyb n ALA 81 N 4.98 0.00 -1.24 9.38 0.00 -1.26 -5.12 120.51 127.25 1jyb n ALA 81 Ca -0.14 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.00 1jyb n ALA 81 Cb 0.49 0.00 0.11 0.00 0.00 0.00 0.00 19.45 20.05 1jyb n ALA 81 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1jyb s ASP 82 N 0.88 4.16 0.24 0.00 -4.77 -1.26 -4.79 116.67 111.12 1jyb s ASP 82 Ca 0.00 1.72 -0.06 0.00 -3.30 0.00 0.00 52.55 50.90 1jyb s ASP 82 Cb 0.00 -2.41 0.29 0.00 -1.09 0.00 0.00 42.92 39.71 1jyb s ASP 82 CO 0.00 -2.24 1.87 0.74 0.70 0.00 0.00 175.17 176.24 1jyb h THR 83 N -1.27 1.10 -0.28 2.11 2.02 -1.95 -1.93 112.91 112.72 1jyb h THR 83 Ca -0.45 -0.35 0.05 0.00 0.77 0.00 0.00 66.41 66.42 1jyb h THR 83 Cb 1.25 -0.02 -0.05 0.00 -1.74 0.00 0.00 68.15 67.59 1jyb h THR 83 CO 0.52 0.19 -0.04 -0.74 0.37 0.00 0.00 175.52 175.82 1jyb h HIS 84 N 1.03 -0.10 -0.20 3.16 -0.00 -1.94 0.75 115.15 117.85 1jyb h HIS 84 Ca 0.36 0.02 -0.05 0.00 -0.00 0.00 0.00 60.37 60.70 1jyb h HIS 84 Cb 0.08 0.09 -0.01 0.00 -0.00 0.00 0.00 27.41 27.56 1jyb h HIS 84 CO -0.03 -0.09 -0.08 0.00 -0.00 0.00 0.00 177.93 177.73 1jyb h ALA 85 N 1.26 1.50 -0.52 5.26 0.00 -1.86 -1.39 119.26 123.52 1jyb h ALA 85 Ca 0.13 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.73 1jyb h ALA 85 Cb 0.19 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1jyb h ALA 85 CO -0.26 0.36 -0.15 -0.91 0.00 0.00 0.00 179.25 178.28 1jyb h ASN 86 N 0.30 1.04 -0.61 0.00 2.35 -0.51 -0.11 115.58 118.04 1jyb h ASN 86 Ca 0.06 -0.37 -0.09 0.00 -0.55 0.00 0.00 56.30 55.35 1jyb h ASN 86 Cb 0.33 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.39 1jyb h ASN 86 CO 0.02 1.17 0.02 -0.07 -1.65 0.00 0.00 177.43 176.92 1jyb h LEU 87 N 0.90 1.04 -0.62 1.61 3.38 -0.29 -1.81 115.31 119.52 1jyb h LEU 87 Ca 0.13 -0.29 -0.14 0.00 0.09 0.00 0.00 57.88 57.68 1jyb h LEU 87 Cb 0.73 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1jyb h LEU 87 CO 0.06 1.08 -0.38 0.40 0.09 0.00 0.00 178.44 179.69 1jyb h ILE 88 N 0.98 1.29 0.00 1.22 1.08 -1.03 -1.25 117.51 119.80 1jyb h ILE 88 Ca 0.18 -1.54 -0.16 0.00 -0.39 0.00 0.00 64.86 62.95 1jyb h ILE 88 Cb 0.53 1.48 -0.02 0.00 -3.07 0.00 0.00 36.82 35.74 1jyb h ILE 88 CO 0.03 0.49 -0.76 0.00 -0.69 0.00 0.00 178.15 177.22 1jyb h ALA 89 N 1.03 0.72 -0.07 1.87 0.00 -0.91 -2.68 119.26 119.22 1jyb h ALA 89 Ca 0.05 -0.69 -0.25 0.00 0.00 0.00 0.00 54.91 54.02 1jyb h ALA 89 Cb 0.90 -0.12 0.02 0.00 0.00 0.00 0.00 17.79 18.58 1jyb h ALA 89 CO 0.08 0.95 -0.92 0.77 0.00 0.00 0.00 179.25 180.12 1jyb h SER 90 N 0.00 0.91 -0.97 0.00 0.02 -1.20 -2.49 113.55 109.81 1jyb h SER 90 Ca -0.01 -0.67 0.03 0.00 -0.84 0.00 0.00 61.79 60.30 1jyb h SER 90 Cb 1.36 -0.27 -0.05 0.00 0.14 0.00 0.00 62.40 63.58 1jyb h SER 90 CO 0.10 1.47 0.64 0.00 -1.14 0.00 0.00 176.83 177.89 1jyb h ALA 91 N 0.49 1.27 -0.33 3.77 0.00 -1.17 -1.24 119.26 122.04 1jyb h ALA 91 Ca -0.09 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1jyb h ALA 91 Cb 1.56 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 1jyb h ALA 91 CO 0.18 0.55 0.19 0.00 0.00 0.00 0.00 179.25 180.17 1jyb h ALA 92 N 1.38 0.43 -0.43 0.00 0.00 -1.43 0.34 119.26 119.56 1jyb h ALA 92 Ca 0.38 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.20 1jyb h ALA 92 Cb -0.05 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1jyb h ALA 92 CO -0.11 -0.05 0.20 0.78 0.00 0.00 0.00 179.25 180.07 1jyb h GLY 93 N 0.42 0.66 0.68 0.00 0.00 -1.18 -0.62 103.07 103.04 1jyb h GLY 93 Ca 0.12 -0.33 0.05 0.00 0.00 0.00 0.00 47.33 47.16 1jyb h GLY 93 CO -0.02 0.32 0.19 0.83 0.00 0.00 0.00 176.54 177.86 1jyb h GLU 94 N 0.55 0.37 -0.54 4.80 4.39 -0.93 -2.30 114.58 120.92 1jyb h GLU 94 Ca 0.15 -0.02 0.06 0.00 0.34 0.00 0.00 59.36 59.88 1jyb h GLU 94 Cb 0.13 -0.08 -0.05 0.00 -0.10 0.00 0.00 28.75 28.64 1jyb h GLU 94 CO -0.02 0.25 0.25 1.25 -1.16 0.00 0.00 179.01 179.58 1jyb h HIS 95 N 0.38 0.45 -0.26 4.33 2.76 0.15 -2.16 115.15 120.80 1jyb h HIS 95 Ca 0.20 0.02 -0.13 0.00 -2.20 0.00 0.00 60.37 58.27 1jyb h HIS 95 Cb 0.15 -0.12 -0.01 0.00 1.55 0.00 0.00 27.41 28.98 1jyb h HIS 95 CO -0.13 0.19 -0.36 1.25 -1.30 0.00 0.00 177.93 177.58 1jyb h HIS 96 N 0.47 0.69 -0.57 5.26 -0.00 -0.69 -1.87 115.15 118.44 1jyb h HIS 96 Ca 0.25 -0.19 -0.04 0.00 -0.00 0.00 0.00 60.37 60.39 1jyb h HIS 96 Cb 0.21 -0.15 -0.02 0.00 -0.00 0.00 0.00 27.41 27.45 1jyb h HIS 96 CO -0.12 0.87 0.20 0.93 -0.00 0.00 0.00 177.93 179.80 1jyb h GLU 97 N 0.49 0.87 0.00 5.26 5.08 -0.87 0.00 114.58 125.42 1jyb h GLU 97 Ca 0.05 -0.18 -0.09 0.00 -1.00 0.00 0.00 59.36 58.15 1jyb h GLU 97 Cb 0.85 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.96 1jyb h GLU 97 CO 0.07 0.77 -1.24 2.48 -1.00 0.00 0.00 179.01 180.09 1jyb n TYR 98 N -4.46 0.96 0.04 4.33 0.18 -0.88 -1.23 117.16 116.10 1jyb n TYR 98 Ca 0.03 0.30 -0.20 0.00 1.88 0.00 0.00 57.90 59.91 1jyb n TYR 98 Cb 0.19 -1.02 -0.14 0.00 -0.38 0.00 0.00 39.34 37.98 1jyb n TYR 98 CO 0.00 0.00 0.00 1.79 -2.08 0.00 0.00 176.86 176.57 1jyb h THR 99 N 0.00 0.86 0.00 -3.48 1.35 -1.35 -3.41 112.91 106.89 1jyb h THR 99 Ca -0.09 -2.53 0.00 0.00 -0.55 0.00 0.00 66.41 63.24 1jyb h THR 99 Cb 1.31 2.64 0.00 0.00 -1.73 0.00 0.00 68.15 70.37 1jyb h THR 99 CO 0.02 0.83 -0.29 -0.62 -0.25 0.00 0.00 175.52 175.21 1jyb n GLU 100 N -3.47 0.16 0.24 4.72 1.02 -0.08 -4.65 120.64 118.56 1jyb n GLU 100 Ca -0.25 0.06 -0.13 0.00 -0.02 0.00 0.00 57.16 56.82 1jyb n GLU 100 Cb 1.06 -0.68 -0.07 0.00 -0.02 0.00 0.00 31.44 31.73 1jyb n GLU 100 CO 0.00 0.00 0.00 1.98 1.18 0.00 0.00 177.13 180.29 1jyb h MET 101 N -0.29 -0.74 -0.50 3.49 4.05 -1.41 -2.58 114.93 116.95 1jyb h MET 101 Ca 0.00 0.05 -0.06 0.00 -0.28 0.00 0.00 59.70 59.41 1jyb h MET 101 Cb 0.29 0.17 -0.02 0.00 -0.80 0.00 0.00 31.60 31.24 1jyb h MET 101 CO 0.00 -0.49 0.07 1.88 0.23 0.00 0.00 176.91 178.60 1jyb h TYR 102 N -0.76 0.81 -0.24 1.39 0.05 -1.44 -0.36 116.97 116.42 1jyb h TYR 102 Ca -0.05 -0.09 0.06 0.00 0.05 0.00 0.00 58.73 58.70 1jyb h TYR 102 Cb 0.65 -0.23 -0.07 0.00 1.01 0.00 0.00 36.73 38.08 1jyb h TYR 102 CO -0.16 0.72 -0.32 -1.35 -1.05 0.00 0.00 178.16 175.99 1jyb h PRO 103 N 0.74 -0.32 -0.45 4.88 0.11 -1.76 0.67 132.00 135.88 1jyb h PRO 103 Ca 0.16 0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.29 1jyb h PRO 103 Cb 0.35 0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.51 1jyb h PRO 103 CO 0.01 -0.21 0.28 0.77 -0.21 0.00 0.00 178.00 178.63 1jyb h SER 104 N -0.33 0.54 0.07 -2.05 0.02 -1.28 -0.91 113.55 109.60 1jyb h SER 104 Ca 0.13 -0.05 -0.14 0.00 -0.84 0.00 0.00 61.79 60.90 1jyb h SER 104 Cb 0.54 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.93 1jyb h SER 104 CO -0.43 0.42 -0.46 -0.26 -1.14 0.00 0.00 176.83 174.96 1jyb h PHE 105 N 0.60 0.56 -0.06 3.45 0.04 -0.78 -1.98 116.94 118.77 1jyb h PHE 105 Ca 0.16 -0.18 -0.10 0.00 2.80 0.00 0.00 57.97 60.66 1jyb h PHE 105 Cb -0.02 -0.12 -0.01 0.00 2.20 0.00 0.00 35.95 38.00 1jyb h PHE 105 CO -0.03 0.84 -0.40 0.00 -0.60 0.00 0.00 178.31 178.12 1jyb h ALA 106 N 1.13 1.22 -0.13 2.45 0.00 -0.63 -2.05 119.26 121.25 1jyb h ALA 106 Ca 0.02 -0.39 -0.10 0.00 0.00 0.00 0.00 54.91 54.45 1jyb h ALA 106 Cb 0.96 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1jyb h ALA 106 CO 0.08 0.55 -0.30 -0.09 0.00 0.00 0.00 179.25 179.50 1jyb h ARG 107 N 0.11 0.43 -0.82 0.00 2.43 -0.80 -2.14 114.38 113.59 1jyb h ARG 107 Ca 0.01 -0.29 -0.04 0.00 -0.81 0.00 0.00 59.98 58.85 1jyb h ARG 107 Cb 0.76 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.32 1jyb h ARG 107 CO 0.06 0.90 0.35 0.82 -1.51 0.00 0.00 179.97 180.59 1jyb h ILE 108 N 0.02 1.26 -0.78 1.20 2.04 -1.26 -1.94 117.51 118.05 1jyb h ILE 108 Ca -0.00 -0.79 -0.00 0.00 1.00 0.00 0.00 64.86 65.07 1jyb h ILE 108 Cb 0.90 0.26 -0.04 0.00 -0.74 0.00 0.00 36.82 37.20 1jyb h ILE 108 CO 0.06 0.33 0.47 0.00 0.00 0.00 0.00 178.15 179.01 1jyb h ALA 109 N 1.20 0.99 0.15 1.87 0.00 -1.30 -2.06 119.26 120.11 1jyb h ALA 109 Ca 0.28 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 1jyb h ALA 109 Cb 0.18 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1jyb h ALA 109 CO -0.03 0.46 -0.11 0.00 0.00 0.00 0.00 179.25 179.57 1jyb h ARG 110 N 1.07 -0.25 -0.60 0.00 3.08 -1.06 0.89 114.38 117.51 1jyb h ARG 110 Ca 0.28 0.02 0.17 0.00 0.07 0.00 0.00 59.98 60.52 1jyb h ARG 110 Cb -0.04 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 1jyb h ARG 110 CO -0.05 -0.17 0.50 0.93 -1.07 0.00 0.00 179.97 180.11 1jyb h GLU 111 N -0.26 0.00 -0.09 0.04 5.08 -0.82 -0.09 114.58 118.45 1jyb h GLU 111 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1jyb h GLU 111 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1jyb h GLU 111 CO -0.00 0.00 0.00 0.39 -1.00 0.00 0.00 179.01 178.40 1jyb n GLU 112 N -4.06 2.36 -0.33 2.33 1.02 -0.82 -4.97 120.64 116.16 1jyb n GLU 112 Ca 0.12 -1.99 0.00 0.00 -0.02 0.00 0.00 57.16 55.27 1jyb n GLU 112 Cb 0.73 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.68 1jyb n GLU 112 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1jyb n GLY 113 N 1.38 0.82 2.76 0.62 0.00 -0.05 -4.98 105.19 105.73 1jyb n GLY 113 Ca 0.15 -0.13 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 1jyb n GLY 113 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1jyb n TYR 114 N -2.33 3.00 -0.16 1.61 4.01 0.25 -4.71 117.16 118.82 1jyb n TYR 114 Ca 0.00 -3.22 -0.00 0.00 -0.16 0.00 0.00 57.90 54.52 1jyb n TYR 114 Cb 0.00 -0.94 0.25 0.00 -0.31 0.00 0.00 39.34 38.34 1jyb n TYR 114 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 1jyb h GLU 115 N 4.48 0.88 -0.17 -0.72 4.39 -1.87 -1.91 114.58 119.68 1jyb h GLU 115 Ca 0.26 -0.09 -0.07 0.00 0.34 0.00 0.00 59.36 59.79 1jyb h GLU 115 Cb 0.55 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 29.01 1jyb h GLU 115 CO 1.09 0.65 -0.23 1.49 -1.16 0.00 0.00 179.01 180.85 1jyb h GLU 116 N 0.89 0.30 0.03 2.33 4.81 -1.96 -0.36 114.58 120.63 1jyb h GLU 116 Ca 0.23 -0.10 -0.21 0.00 -0.13 0.00 0.00 59.36 59.15 1jyb h GLU 116 Cb 0.02 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 1jyb h GLU 116 CO -0.04 0.52 -0.99 0.82 -0.73 0.00 0.00 179.01 178.59 1jyb h ILE 117 N 0.27 1.59 -0.35 2.32 2.04 -1.92 -1.72 117.51 119.75 1jyb h ILE 117 Ca 0.05 -3.05 -0.10 0.00 1.00 0.00 0.00 64.86 62.76 1jyb h ILE 117 Cb 0.56 2.72 -0.02 0.00 -0.74 0.00 0.00 36.82 39.34 1jyb h ILE 117 CO 0.04 0.88 -0.19 0.00 0.00 0.00 0.00 178.15 178.88 1jyb h ALA 118 N 0.93 1.02 -0.03 1.87 0.00 -0.92 -0.32 119.26 121.81 1jyb h ALA 118 Ca -0.05 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.53 1jyb h ALA 118 Cb 1.70 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 19.34 1jyb h ALA 118 CO 0.14 0.58 0.02 0.00 0.00 0.00 0.00 179.25 180.00 1jyb h ARG 119 N 0.58 0.05 -0.57 0.00 -0.00 -0.83 -1.18 114.38 112.43 1jyb h ARG 119 Ca 0.09 -0.01 -0.07 0.00 -0.50 0.00 0.00 59.98 59.50 1jyb h ARG 119 Cb 0.64 -0.01 -0.02 0.00 0.00 0.00 0.00 29.97 30.58 1jyb h ARG 119 CO 0.05 0.10 0.08 0.28 0.00 0.00 0.00 179.97 180.48 1jyb h VAL 120 N -0.02 1.26 -0.67 2.04 2.07 -1.13 -0.20 116.25 119.61 1jyb h VAL 120 Ca 0.01 -1.00 0.00 0.00 0.82 0.00 0.00 66.70 66.54 1jyb h VAL 120 Cb 0.07 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 1jyb h VAL 120 CO -0.00 0.36 0.43 -0.26 0.02 0.00 0.00 177.57 178.12 1jyb h PHE 121 N 0.84 0.86 -0.39 1.57 0.04 -0.81 -1.21 116.94 117.83 1jyb h PHE 121 Ca 0.17 0.01 -0.13 0.00 2.80 0.00 0.00 57.97 60.82 1jyb h PHE 121 Cb 0.43 -0.29 -0.01 0.00 2.20 0.00 0.00 35.95 38.29 1jyb h PHE 121 CO 0.03 0.55 -0.28 0.00 -0.60 0.00 0.00 178.31 178.02 1jyb h ALA 122 N 1.23 0.77 -0.16 2.45 0.00 -1.09 -3.06 119.26 119.41 1jyb h ALA 122 Ca 0.24 -0.40 -0.12 0.00 0.00 0.00 0.00 54.91 54.63 1jyb h ALA 122 Cb -0.08 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1jyb h ALA 122 CO -0.05 0.65 -0.41 0.77 0.00 0.00 0.00 179.25 180.21 1jyb h SER 123 N 0.71 0.39 0.18 0.00 0.02 -0.57 -2.69 113.55 111.59 1jyb h SER 123 Ca 0.09 -0.17 -0.07 0.00 -0.84 0.00 0.00 61.79 60.80 1jyb h SER 123 Cb 0.82 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.24 1jyb h SER 123 CO 0.07 0.76 -0.28 0.40 -1.14 0.00 0.00 176.83 176.64 1jyb h ILE 124 N 0.31 1.24 -0.02 3.27 2.04 -1.22 -2.60 117.51 120.52 1jyb h ILE 124 Ca 0.03 -1.12 -0.05 0.00 1.00 0.00 0.00 64.86 64.72 1jyb h ILE 124 Cb 0.85 1.47 -0.01 0.00 -0.74 0.00 0.00 36.82 38.40 1jyb h ILE 124 CO 0.07 0.33 -0.21 0.00 0.00 0.00 0.00 178.15 178.35 1jyb h ALA 125 N 1.57 1.62 -0.46 1.87 0.00 -1.37 -0.52 119.26 121.96 1jyb h ALA 125 Ca 0.02 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1jyb h ALA 125 Cb 0.57 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1jyb h ALA 125 CO 0.04 0.29 0.23 0.28 0.00 0.00 0.00 179.25 180.08 1jyb h VAL 126 N 0.03 1.18 -0.51 0.00 2.07 -1.48 -0.44 116.25 117.10 1jyb h VAL 126 Ca 0.01 -0.52 -0.05 0.00 0.82 0.00 0.00 66.70 66.95 1jyb h VAL 126 Cb 0.39 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 1jyb h VAL 126 CO 0.03 0.20 0.12 0.00 0.02 0.00 0.00 177.57 177.94 1jyb h ALA 127 N 1.07 0.68 0.00 1.67 0.00 -1.39 -2.49 119.26 118.80 1jyb h ALA 127 Ca 0.16 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1jyb h ALA 127 Cb 0.11 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1jyb h ALA 127 CO -0.02 0.38 -0.21 0.93 0.00 0.00 0.00 179.25 180.32 1jyb h GLU 128 N 0.72 0.00 -0.58 0.00 4.39 -0.51 -2.62 114.58 115.98 1jyb h GLU 128 Ca 0.16 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.77 1jyb h GLU 128 Cb 0.34 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.97 1jyb h GLU 128 CO 0.00 0.21 0.02 1.49 -1.16 0.00 0.00 179.01 179.57 1jyb h GLU 129 N 0.00 0.99 -0.05 2.33 4.81 -0.64 -2.75 114.58 119.27 1jyb h GLU 129 Ca -0.00 -0.29 -0.16 0.00 -0.13 0.00 0.00 59.36 58.78 1jyb h GLU 129 Cb 0.38 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 1jyb h GLU 129 CO 0.03 0.96 -0.69 0.35 -0.73 0.00 0.00 179.01 178.93 1jyb h PHE 130 N 0.91 0.32 -0.41 0.92 3.57 -1.37 -2.09 116.94 118.78 1jyb h PHE 130 Ca 0.17 -0.14 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 1jyb h PHE 130 Cb 0.51 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.18 1jyb h PHE 130 CO 0.03 0.85 0.23 0.45 -2.23 0.00 0.00 178.31 177.64 1jyb h HIS 131 N 0.16 0.56 -0.54 0.41 3.86 -1.45 -0.08 115.15 118.08 1jyb h HIS 131 Ca -0.02 -0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.18 1jyb h HIS 131 Cb 1.23 -0.18 -0.03 0.00 1.06 0.00 0.00 27.41 29.50 1jyb h HIS 131 CO 0.02 0.42 0.33 1.49 0.86 0.00 0.00 177.93 181.06 1jyb h GLU 132 N 0.53 0.72 -0.73 2.45 4.81 -1.33 -1.95 114.58 119.08 1jyb h GLU 132 Ca 0.14 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.28 1jyb h GLU 132 Cb 0.05 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.24 1jyb h GLU 132 CO -0.02 0.52 0.33 0.87 -0.73 0.00 0.00 179.01 179.97 1jyb h LYS 133 N 0.72 1.05 -0.44 1.92 6.56 -0.97 -1.50 116.57 123.91 1jyb h LYS 133 Ca 0.19 -0.16 -0.05 0.00 -1.06 0.00 0.00 60.65 59.58 1jyb h LYS 133 Cb -0.03 -0.19 -0.02 0.00 -0.57 0.00 0.00 32.23 31.43 1jyb h LYS 133 CO -0.04 0.83 0.09 -0.09 -2.06 0.00 0.00 179.45 178.18 1jyb h ARG 134 N 1.04 0.72 -0.27 3.15 2.43 -0.83 -1.56 114.38 119.06 1jyb h ARG 134 Ca 0.25 -0.18 -0.07 0.00 -0.81 0.00 0.00 59.98 59.17 1jyb h ARG 134 Cb 0.14 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 1jyb h ARG 134 CO -0.03 0.73 -0.11 0.74 -1.51 0.00 0.00 179.97 179.79 1jyb h PHE 135 N 0.59 0.49 -0.19 2.20 0.04 -1.01 -2.09 116.94 116.96 1jyb h PHE 135 Ca 0.14 -0.07 -0.21 0.00 2.80 0.00 0.00 57.97 60.63 1jyb h PHE 135 Cb 0.35 -0.13 0.01 0.00 2.20 0.00 0.00 35.95 38.38 1jyb h PHE 135 CO 0.02 0.56 -0.70 -0.07 -0.60 0.00 0.00 178.31 177.52 1jyb h LEU 136 N 0.43 0.95 -0.72 1.54 3.38 -1.05 -1.38 115.31 118.45 1jyb h LEU 136 Ca 0.08 -0.60 -0.07 0.00 0.09 0.00 0.00 57.88 57.38 1jyb h LEU 136 Cb 0.46 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 1jyb h LEU 136 CO 0.03 1.39 0.17 0.44 0.09 0.00 0.00 178.44 180.56 1jyb h ASP 137 N 0.56 1.08 -0.24 -0.43 3.32 -1.19 -0.10 116.42 119.42 1jyb h ASP 137 Ca -0.03 -0.23 -0.14 0.00 0.02 0.00 0.00 57.03 56.64 1jyb h ASP 137 Cb 1.33 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 40.59 1jyb h ASP 137 CO 0.15 1.04 -0.38 -0.26 -1.72 0.00 0.00 179.24 178.07 1jyb h PHE 138 N 1.08 0.92 -0.68 4.55 0.04 -1.33 -0.28 116.94 121.25 1jyb h PHE 138 Ca 0.22 -0.27 -0.02 0.00 2.80 0.00 0.00 57.97 60.70 1jyb h PHE 138 Cb 0.38 -0.20 -0.03 0.00 2.20 0.00 0.00 35.95 38.30 1jyb h PHE 138 CO 0.03 1.03 0.33 0.00 -0.60 0.00 0.00 178.31 179.10 1jyb h ALA 139 N 0.93 0.88 -0.40 2.45 0.00 -1.04 -1.79 119.26 120.29 1jyb h ALA 139 Ca 0.06 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 1jyb h ALA 139 Cb 0.93 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1jyb h ALA 139 CO 0.08 0.43 0.04 -0.09 0.00 0.00 0.00 179.25 179.72 1jyb h ARG 140 N 0.94 0.68 -0.60 0.00 2.43 -0.71 -2.08 114.38 115.04 1jyb h ARG 140 Ca 0.23 -0.20 0.10 0.00 -0.81 0.00 0.00 59.98 59.30 1jyb h ARG 140 Cb 0.11 -0.07 -0.07 0.00 -0.42 0.00 0.00 29.97 29.51 1jyb h ARG 140 CO -0.03 0.75 0.21 -0.91 -1.51 0.00 0.00 179.97 178.48 1jyb h ASN 141 N 0.53 0.20 0.63 -3.80 -0.26 -0.79 -1.91 115.58 110.17 1jyb h ASN 141 Ca 0.12 0.08 -0.03 0.00 -0.56 0.00 0.00 56.30 55.91 1jyb h ASN 141 Cb 0.41 0.07 0.00 0.00 -1.06 0.00 0.00 38.32 37.75 1jyb h ASN 141 CO 0.01 0.12 -0.31 0.40 -1.06 0.00 0.00 177.43 176.59 1jyb h ILE 142 N 0.39 0.37 -0.89 2.81 2.04 -1.21 0.36 117.51 121.38 1jyb h ILE 142 Ca 0.31 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.28 1jyb h ILE 142 Cb 0.39 0.37 -0.07 0.00 -0.74 0.00 0.00 36.82 36.77 1jyb h ILE 142 CO -0.32 0.00 0.57 0.50 0.00 0.00 0.00 178.15 178.91 1jyb h LYS 143 N -0.85 0.78 -0.00 2.37 3.64 -1.21 0.38 116.57 121.67 1jyb h LYS 143 Ca -0.08 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 1jyb h LYS 143 Cb 0.66 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 1jyb h LYS 143 CO 0.13 0.52 -0.30 0.39 -2.27 0.00 0.00 179.45 177.92 1jyb n GLU 144 N -4.55 0.10 -2.22 1.90 1.02 -0.73 -4.95 120.64 111.21 1jyb n GLU 144 Ca 0.16 -0.04 -0.05 0.00 -0.02 0.00 0.00 57.16 57.21 1jyb n GLU 144 Cb 0.37 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.30 1jyb n GLU 144 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1jyb n GLY 145 N 1.47 0.24 1.14 0.62 0.00 0.12 -4.97 105.19 103.82 1jyb n GLY 145 Ca 0.07 -0.64 0.08 0.00 0.00 0.00 0.00 46.02 45.53 1jyb n GLY 145 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jyb n ARG 146 N -1.50 3.32 -0.06 1.61 3.00 0.01 -4.56 116.66 118.48 1jyb n ARG 146 Ca -0.05 -2.67 -0.14 0.00 -0.01 0.00 0.00 57.85 54.98 1jyb n ARG 146 Cb 0.54 -1.73 -0.06 0.00 0.00 0.00 0.00 32.46 31.21 1jyb n ARG 146 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 1jyb h VAL 147 N 2.84 1.33 -0.08 1.55 2.07 -1.90 -3.35 116.25 118.71 1jyb h VAL 147 Ca 0.00 -1.57 -0.00 0.00 0.82 0.00 0.00 66.70 65.95 1jyb h VAL 147 Cb 1.28 1.85 -0.00 0.00 -1.52 0.00 0.00 31.29 32.90 1jyb h VAL 147 CO 0.18 0.49 -0.00 0.49 0.02 0.00 0.00 177.57 178.74 1jyb n PHE 148 N -4.29 0.29 -3.61 1.57 3.72 -1.26 -4.87 117.46 109.01 1jyb n PHE 148 Ca -0.06 -0.97 -0.03 0.00 -0.05 0.00 0.00 57.45 56.35 1jyb n PHE 148 Cb 0.50 -0.20 -0.06 0.00 -0.94 0.00 0.00 39.48 38.78 1jyb n PHE 148 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 1jyb s LEU 149 N -2.87 -0.64 0.46 4.37 2.96 -1.26 -2.19 118.68 119.50 1jyb s LEU 149 Ca 0.35 0.99 0.05 0.00 -0.22 0.00 0.00 54.13 55.31 1jyb s LEU 149 Cb 0.30 1.89 -0.04 0.00 0.50 0.00 0.00 46.19 48.84 1jyb s LEU 149 CO 0.05 -0.15 0.13 -0.13 -1.32 0.00 0.00 176.35 174.93 1jyb s ARG 150 N 1.65 2.16 0.04 1.98 1.81 0.14 -4.39 118.95 122.33 1jyb s ARG 150 Ca -0.08 -2.07 0.09 0.00 -1.72 0.00 0.00 55.73 51.96 1jyb s ARG 150 Cb -0.05 -1.81 -0.22 0.00 -0.45 0.00 0.00 34.95 32.42 1jyb s ARG 150 CO -0.16 -0.24 0.96 1.49 -0.68 0.00 0.00 175.30 176.67 1jyb h GLU 151 N 1.38 0.01 -6.29 3.54 4.81 -1.99 -3.44 114.58 112.60 1jyb h GLU 151 Ca -0.42 -0.01 -0.58 0.00 -0.13 0.00 0.00 59.36 58.21 1jyb h GLU 151 Cb 1.27 0.00 -0.10 0.00 0.63 0.00 0.00 28.75 30.56 1jyb h GLU 151 CO 0.72 0.75 -0.64 -0.65 -0.73 0.00 0.00 179.01 178.46 1jyb s GLN 152 N -2.65 2.44 -0.00 1.92 -1.52 -1.26 -5.04 119.66 113.55 1jyb s GLN 152 Ca -0.02 -1.17 -0.29 0.00 -1.95 0.00 0.00 55.36 51.93 1jyb s GLN 152 Cb 0.09 -2.34 -0.03 0.00 -0.22 0.00 0.00 33.01 30.51 1jyb s GLN 152 CO 0.82 0.43 0.94 0.00 -0.25 0.00 0.00 175.29 177.24 1jyb s ALA 153 N -1.90 3.18 0.00 6.09 0.00 -1.26 -4.61 121.76 123.26 1jyb s ALA 153 Ca 0.29 0.49 0.00 0.00 0.00 0.00 0.00 51.96 52.74 1jyb s ALA 153 Cb -0.08 -3.29 0.00 0.00 0.00 0.00 0.00 23.12 19.75 1jyb s ALA 153 CO 0.20 -0.21 0.00 0.25 0.00 0.00 0.00 175.76 176.00 1jyb n THR 154 N 3.85 0.00 -4.80 0.00 -2.24 0.13 -4.83 114.28 106.39 1jyb n THR 154 Ca 0.05 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.50 1jyb n THR 154 Cb 0.51 0.00 -0.14 0.00 -2.10 0.00 0.00 70.33 68.60 1jyb n THR 154 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1jyb s LYS 155 N -1.41 3.33 -0.13 -0.78 1.02 -1.26 -0.26 119.74 120.25 1jyb s LYS 155 Ca 0.00 -0.69 -0.01 0.00 0.02 0.00 0.00 55.97 55.29 1jyb s LYS 155 Cb 0.00 -2.61 -0.02 0.00 -0.52 0.00 0.00 37.83 34.69 1jyb s LYS 155 CO 0.00 0.24 -0.10 -1.58 -0.92 0.00 0.00 175.35 172.98 1jyb s TRP 156 N 0.29 2.87 -0.10 3.18 0.52 0.41 -0.73 118.94 125.37 1jyb s TRP 156 Ca -0.10 -0.52 0.00 0.00 0.02 0.00 0.00 56.10 55.50 1jyb s TRP 156 Cb -0.16 -1.86 -0.02 0.00 -1.15 0.00 0.00 33.47 30.28 1jyb s TRP 156 CO 0.06 -0.14 -0.10 0.50 0.02 0.00 0.00 176.95 177.28 1jyb s ARG 157 N 0.28 3.12 -0.23 4.98 3.52 0.57 -0.43 118.95 130.76 1jyb s ARG 157 Ca -0.08 -0.63 -0.29 0.00 -0.13 0.00 0.00 55.73 54.60 1jyb s ARG 157 Cb -0.15 -2.62 -0.00 0.00 -1.56 0.00 0.00 34.95 30.62 1jyb s ARG 157 CO 0.05 0.40 1.19 0.00 -0.81 0.00 0.00 175.30 176.13 1jyb h ARG 159 N 8.23 0.00 0.03 0.00 3.08 -1.24 0.31 114.38 124.78 1jyb h ARG 159 Ca -0.24 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.66 1jyb h ARG 159 Cb 1.09 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.15 1jyb h ARG 159 CO 0.99 0.21 -0.61 -0.97 -1.07 0.00 0.00 179.97 178.52 1jyb h ASN 160 N 0.00 0.49 0.00 7.04 -0.00 -1.91 -3.41 115.58 117.79 1jyb h ASN 160 Ca -0.00 -0.80 0.00 0.00 -0.00 0.00 0.00 56.30 55.50 1jyb h ASN 160 Cb 0.72 -0.15 0.00 0.00 -0.00 0.00 0.00 38.32 38.89 1jyb h ASN 160 CO 0.03 1.23 0.00 0.00 -0.00 0.00 0.00 177.43 178.69 1jyb n GLY 162 N 0.24 0.61 3.73 0.00 0.00 0.11 -5.03 105.19 104.84 1jyb n GLY 162 Ca 0.00 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 1jyb n GLY 162 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1jyb s TYR 163 N -2.00 2.87 -0.18 1.61 5.04 -1.25 -4.71 117.35 118.72 1jyb s TYR 163 Ca 0.00 0.46 -0.07 0.00 -2.44 0.00 0.00 57.07 55.02 1jyb s TYR 163 Cb 0.00 -4.12 -0.04 0.00 0.35 0.00 0.00 41.96 38.15 1jyb s TYR 163 CO 0.00 -4.12 0.05 0.08 -1.34 0.00 0.00 175.55 170.22 1jyb s VAL 164 N 0.87 4.68 -0.07 3.14 1.01 -1.26 -1.69 120.40 127.08 1jyb s VAL 164 Ca 0.72 -0.07 0.03 0.00 0.00 0.00 0.00 61.98 62.66 1jyb s VAL 164 Cb -0.49 -3.11 -0.02 0.00 0.00 0.00 0.00 36.38 32.76 1jyb s VAL 164 CO 0.36 0.46 -0.17 -2.28 0.00 0.00 0.00 175.10 173.47 1jyb s HIS 165 N 0.42 2.65 -0.21 5.22 2.46 0.43 -4.96 115.29 121.29 1jyb s HIS 165 Ca 0.02 -0.46 -0.08 0.00 0.47 0.00 0.00 55.06 55.01 1jyb s HIS 165 Cb -0.13 -1.68 -0.04 0.00 -0.13 0.00 0.00 32.58 30.61 1jyb s HIS 165 CO 0.01 -0.04 0.10 -1.21 -2.47 0.00 0.00 174.74 171.12 1jyb s GLU 166 N -0.27 3.96 0.00 2.88 2.02 -1.26 -0.44 118.70 125.59 1jyb s GLU 166 Ca 0.01 -0.34 0.00 0.00 0.02 0.00 0.00 54.97 54.66 1jyb s GLU 166 Cb -0.13 -3.35 0.00 0.00 0.10 0.00 0.00 34.13 30.76 1jyb s GLU 166 CO 0.03 0.13 0.00 0.41 0.02 0.00 0.00 175.26 175.85 1jyb n GLY 167 N 4.00 -0.97 0.13 -1.39 0.00 0.65 -4.96 105.19 102.65 1jyb n GLY 167 Ca -0.16 -1.16 0.01 0.00 0.00 0.00 0.00 46.02 44.72 1jyb n GLY 167 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1jyb h THR 168 N 2.31 0.98 -3.90 2.61 1.35 -1.83 0.37 112.91 114.80 1jyb h THR 168 Ca 0.00 -2.37 -0.11 0.00 -0.55 0.00 0.00 66.41 63.38 1jyb h THR 168 Cb 0.00 2.48 -0.16 0.00 -1.73 0.00 0.00 68.15 68.74 1jyb h THR 168 CO 0.00 0.55 -0.51 -0.83 -0.25 0.00 0.00 175.52 174.49 1jyb s GLY 169 N -4.49 0.21 0.31 5.82 0.00 -1.26 0.23 107.32 108.14 1jyb s GLY 169 Ca 0.04 -0.72 -0.29 0.00 0.00 0.00 0.00 44.72 43.75 1jyb s GLY 169 CO 0.75 -0.86 1.35 0.00 0.00 0.00 0.00 173.10 174.34 1jyb s ALA 170 N -3.31 3.53 0.80 3.20 0.00 -0.93 -4.98 121.76 120.07 1jyb s ALA 170 Ca 0.01 1.30 -0.12 0.00 0.00 0.00 0.00 51.96 53.15 1jyb s ALA 170 Cb 0.03 -3.51 0.08 0.00 0.00 0.00 0.00 23.12 19.72 1jyb s ALA 170 CO -0.08 -0.69 1.13 -1.25 0.00 0.00 0.00 175.76 174.87 1jyb s PRO 171 N -1.46 1.85 0.41 0.00 0.04 -1.26 -4.98 135.00 129.61 1jyb s PRO 171 Ca 0.52 1.43 0.09 0.00 0.04 0.00 0.00 61.00 63.07 1jyb s PRO 171 Cb -0.41 -1.83 0.88 0.00 0.04 0.00 0.00 34.50 33.18 1jyb s PRO 171 CO 0.51 -1.99 2.02 0.93 0.04 0.00 0.00 177.00 178.51 1jyb h GLU 172 N -1.13 0.36 -3.52 4.56 4.39 -1.95 -3.34 114.58 113.94 1jyb h GLU 172 Ca -0.44 -0.04 -0.23 0.00 0.34 0.00 0.00 59.36 58.98 1jyb h GLU 172 Cb 1.26 -0.07 -0.29 0.00 -0.10 0.00 0.00 28.75 29.54 1jyb h GLU 172 CO 0.48 0.32 -0.66 -0.51 -1.16 0.00 0.00 179.01 177.48 1jyb s LEU 173 N -9.17 1.49 0.12 1.33 1.43 -1.26 -1.94 118.68 110.69 1jyb s LEU 173 Ca -0.07 0.13 -0.31 0.00 -1.03 0.00 0.00 54.13 52.85 1jyb s LEU 173 Cb 0.17 0.18 -0.10 0.00 0.03 0.00 0.00 46.19 46.47 1jyb s LEU 173 CO 0.72 -0.06 1.65 0.00 0.23 0.00 0.00 176.35 178.90 1jyb h PRO 175 N 7.66 0.00 0.00 0.00 0.13 -1.97 0.90 132.00 138.73 1jyb h PRO 175 Ca -0.43 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.57 1jyb h PRO 175 Cb 1.20 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 1jyb h PRO 175 CO 0.93 0.08 -0.69 0.00 -0.23 0.00 0.00 178.00 178.09 1jyb h ALA 176 N 1.92 0.14 -0.01 -0.56 0.00 -1.98 -3.41 119.26 115.36 1jyb h ALA 176 Ca -0.00 -0.89 0.00 0.00 0.00 0.00 0.00 54.91 54.02 1jyb h ALA 176 Cb 0.38 0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1jyb h ALA 176 CO 0.01 0.38 -0.27 0.00 0.00 0.00 0.00 179.25 179.37 1jyb n ALA 178 N -0.14 -0.71 -2.60 0.00 0.00 0.31 -4.98 120.51 112.38 1jyb n ALA 178 Ca 0.06 0.13 -0.29 0.00 0.00 0.00 0.00 53.44 53.35 1jyb n ALA 178 Cb 0.29 -1.87 -0.03 0.00 0.00 0.00 0.00 19.45 17.83 1jyb n ALA 178 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1jyb s HIS 179 N -2.82 3.48 0.93 0.00 3.76 -1.26 -4.72 115.29 114.66 1jyb s HIS 179 Ca 0.01 0.55 -0.14 0.00 -0.15 0.00 0.00 55.06 55.33 1jyb s HIS 179 Cb -0.00 -2.03 0.16 0.00 1.11 0.00 0.00 32.58 31.82 1jyb s HIS 179 CO 0.01 0.26 1.19 -1.25 -0.85 0.00 0.00 174.74 174.11 1jyb s PRO 180 N -3.37 0.95 0.35 8.40 0.04 -1.26 -0.01 135.00 140.09 1jyb s PRO 180 Ca 0.42 0.02 0.14 0.00 0.04 0.00 0.00 61.00 61.63 1jyb s PRO 180 Cb -0.11 -1.84 1.13 0.00 0.04 0.00 0.00 34.50 33.72 1jyb s PRO 180 CO 0.29 -2.28 1.56 1.17 0.04 0.00 0.00 177.00 177.78 1jyb n LYS 181 N -3.77 -0.07 -0.44 4.56 4.81 -0.82 -1.17 118.16 121.27 1jyb n LYS 181 Ca 0.10 1.41 0.41 0.00 -0.87 0.00 0.00 58.31 59.35 1jyb n LYS 181 Cb 0.60 -2.42 0.69 0.00 0.02 0.00 0.00 35.03 33.91 1jyb n LYS 181 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1jyb h ALA 182 N 1.98 3.37 0.00 3.14 0.00 -1.90 -0.93 119.26 124.92 1jyb h ALA 182 Ca 0.76 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.62 1jyb h ALA 182 Cb 1.88 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.78 1jyb h ALA 182 CO -0.82 -1.97 -0.04 0.72 0.00 0.00 0.00 179.25 177.14 1jyb n HIS 183 N -3.73 0.29 -3.12 0.00 8.25 -0.32 -2.62 115.22 113.97 1jyb n HIS 183 Ca 0.33 0.09 -0.34 0.00 -0.26 0.00 0.00 57.72 57.53 1jyb n HIS 183 Cb 1.66 -0.63 -0.06 0.00 1.12 0.00 0.00 29.99 32.09 1jyb n HIS 183 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1jyb s PHE 184 N -3.03 3.50 0.15 4.41 0.40 -0.36 -0.67 117.98 122.37 1jyb s PHE 184 Ca 0.13 1.30 -0.00 0.00 -0.60 0.00 0.00 56.93 57.75 1jyb s PHE 184 Cb 0.17 -2.57 -0.04 0.00 0.51 0.00 0.00 43.02 41.08 1jyb s PHE 184 CO 0.56 0.20 0.04 -1.83 0.70 0.00 0.00 175.22 174.90 1jyb s GLU 185 N -2.52 1.00 0.27 0.44 -1.05 0.43 -4.76 118.70 112.51 1jyb s GLU 185 Ca 0.49 -1.48 -0.29 0.00 -0.15 0.00 0.00 54.97 53.54 1jyb s GLU 185 Cb -0.13 0.08 -0.10 0.00 -0.44 0.00 0.00 34.13 33.55 1jyb s GLU 185 CO 0.19 -0.23 1.26 -0.51 0.95 0.00 0.00 175.26 176.92 1jyb s LEU 186 N -3.09 4.45 0.13 1.83 1.43 -1.26 -0.32 118.68 121.85 1jyb s LEU 186 Ca 0.25 2.49 -0.31 0.00 -1.03 0.00 0.00 54.13 55.53 1jyb s LEU 186 Cb 0.07 -3.63 -0.09 0.00 0.03 0.00 0.00 46.19 42.57 1jyb s LEU 186 CO 0.03 -0.44 1.60 -0.22 0.23 0.00 0.00 176.35 177.55 1jyb s LEU 187 N -1.15 4.37 0.02 1.79 2.96 0.09 -4.67 118.68 122.09 1jyb s LEU 187 Ca 0.50 2.56 0.08 0.00 -0.22 0.00 0.00 54.13 57.05 1jyb s LEU 187 Cb -0.37 -3.58 -0.02 0.00 0.50 0.00 0.00 46.19 42.72 1jyb s LEU 187 CO 0.45 -0.85 -0.23 -0.83 -1.32 0.00 0.00 176.35 173.57 1jyb s GLY 188 N 1.63 1.21 -0.10 7.98 0.00 -1.26 -4.97 107.32 111.82 1jyb s GLY 188 Ca 0.71 -1.10 -0.01 0.00 0.00 0.00 0.00 44.72 44.33 1jyb s GLY 188 CO 0.32 -0.98 -0.05 -0.42 0.00 0.00 0.00 173.10 171.97 1jyb s ILE 189 N -0.70 0.79 -0.29 0.90 1.01 -1.26 -5.04 121.20 116.60 1jyb s ILE 189 Ca 0.09 -0.14 0.20 0.00 0.00 0.00 0.00 60.65 60.81 1jyb s ILE 189 Cb -0.09 -0.86 0.48 0.00 0.01 0.00 0.00 42.46 42.01 1jyb s ILE 189 CO 0.01 0.33 1.03 -0.46 0.00 0.00 0.00 174.94 175.85 1jyb n ASN 190 N 5.01 1.52 0.00 3.58 2.04 -1.26 -5.34 115.26 120.81 1jyb n ASN 190 Ca -0.11 -2.38 0.00 0.00 -0.44 0.00 0.00 54.58 51.66 1jyb n ASN 190 Cb 0.50 -0.50 0.00 0.00 -2.53 0.00 0.00 39.78 37.25 1jyb n ASN 190 CO 0.00 0.00 0.00 -2.67 -0.44 0.00 0.00 177.26 174.15