#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jwi n LEU 5 N 0.00 4.45 0.05 0.00 4.32 -1.26 -4.84 117.00 119.72 1jwi n LEU 5 Ca 0.00 0.67 0.21 0.00 -0.02 0.00 0.00 56.01 56.88 1jwi n LEU 5 Cb 0.00 -1.48 0.72 0.00 -1.62 0.00 0.00 43.42 41.04 1jwi n LEU 5 CO 0.00 -1.66 1.19 1.55 -1.22 0.00 0.00 177.39 177.25 1jwi h PRO 6 N -0.33 0.00 -0.56 3.23 0.13 -2.04 -1.87 132.00 130.56 1jwi h PRO 6 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1jwi h PRO 6 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1jwi h PRO 6 CO 0.48 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.85 1jwi n ASP 7 N -3.70 3.96 -4.74 1.44 5.75 -1.26 -4.95 116.55 113.04 1jwi n ASP 7 Ca 0.09 -2.25 -0.23 0.00 -0.01 0.00 0.00 54.79 52.40 1jwi n ASP 7 Cb 0.71 -0.46 -0.06 0.00 -1.03 0.00 0.00 41.12 40.28 1jwi n ASP 7 CO 0.00 0.00 0.00 0.26 -0.11 0.00 0.00 177.20 177.35 1jwi s TRP 8 N -1.46 2.80 0.00 2.11 0.52 -0.71 -4.91 118.94 117.30 1jwi s TRP 8 Ca 0.42 -0.29 0.02 0.00 0.02 0.00 0.00 56.10 56.28 1jwi s TRP 8 Cb 0.25 -1.52 -0.04 0.00 -1.15 0.00 0.00 33.47 31.02 1jwi s TRP 8 CO 0.23 0.41 -0.02 -1.12 0.02 0.00 0.00 176.95 176.47 1jwi s SER 9 N -3.83 4.94 -0.13 2.95 0.01 0.13 -4.80 113.70 112.99 1jwi s SER 9 Ca 0.36 -0.06 -0.05 0.00 1.31 0.00 0.00 55.95 57.50 1jwi s SER 9 Cb -0.05 -1.24 -0.04 0.00 0.21 0.00 0.00 66.02 64.90 1jwi s SER 9 CO 0.23 0.28 0.07 -0.94 0.41 0.00 0.00 173.24 173.28 1jwi s SER 10 N -1.55 5.77 -0.21 2.44 1.04 -1.26 0.44 113.70 120.38 1jwi s SER 10 Ca 0.19 0.24 -0.08 0.00 0.48 0.00 0.00 55.95 56.78 1jwi s SER 10 Cb -0.11 -1.83 0.09 0.00 0.10 0.00 0.00 66.02 64.26 1jwi s SER 10 CO 0.10 0.33 0.47 -0.47 0.98 0.00 0.00 173.24 174.64 1jwi s TYR 11 N -0.56 -0.85 -1.28 5.02 6.14 0.52 -4.98 117.35 121.35 1jwi s TYR 11 Ca 0.11 1.63 -0.06 0.00 0.64 0.00 0.00 57.07 59.39 1jwi s TYR 11 Cb -0.12 0.39 0.01 0.00 0.42 0.00 0.00 41.96 42.66 1jwi s TYR 11 CO 0.02 -0.48 0.12 1.63 0.64 0.00 0.00 175.55 177.48 1jwi n LYS 12 N 5.08 -0.82 -0.65 4.97 5.02 -1.26 -0.63 118.16 129.88 1jwi n LYS 12 Ca -0.13 0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.22 1jwi n LYS 12 Cb 0.51 -2.87 0.00 0.00 -0.02 0.00 0.00 35.03 32.65 1jwi n LYS 12 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1jwi n GLY 13 N -2.29 0.80 3.32 0.72 0.00 -1.26 -5.05 105.19 101.43 1jwi n GLY 13 Ca -0.25 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.60 1jwi n GLY 13 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1jwi s HIS 14 N -3.08 1.57 -0.11 1.61 3.76 0.20 -5.06 115.29 114.17 1jwi s HIS 14 Ca 0.00 -0.68 0.01 0.00 -0.15 0.00 0.00 55.06 54.24 1jwi s HIS 14 Cb 0.00 -0.79 -0.02 0.00 1.11 0.00 0.00 32.58 32.89 1jwi s HIS 14 CO 0.00 0.22 -0.14 0.00 -0.85 0.00 0.00 174.74 173.97 1jwi s TYR 16 N 0.17 1.91 -0.21 0.00 1.51 0.17 -1.63 117.35 119.27 1jwi s TYR 16 Ca -0.08 -0.41 -0.15 0.00 -1.01 0.00 0.00 57.07 55.42 1jwi s TYR 16 Cb -0.15 -1.03 0.06 0.00 -0.11 0.00 0.00 41.96 40.73 1jwi s TYR 16 CO 0.05 0.26 0.54 0.21 -1.11 0.00 0.00 175.55 175.49 1jwi s LYS 17 N -2.07 0.57 -0.27 -0.62 2.47 -1.06 0.23 119.74 118.99 1jwi s LYS 17 Ca 0.09 0.90 -0.12 0.00 -1.56 0.00 0.00 55.97 55.28 1jwi s LYS 17 Cb -0.09 0.14 -0.05 0.00 -1.46 0.00 0.00 37.83 36.37 1jwi s LYS 17 CO 0.05 -0.13 0.23 0.08 0.16 0.00 0.00 175.35 175.74 1jwi s VAL 18 N 1.05 5.29 -0.19 4.02 1.01 -1.26 -1.29 120.40 129.04 1jwi s VAL 18 Ca -0.06 0.27 -0.12 0.00 0.00 0.00 0.00 61.98 62.07 1jwi s VAL 18 Cb -0.06 -3.56 -0.05 0.00 0.00 0.00 0.00 36.38 32.71 1jwi s VAL 18 CO -0.10 0.25 0.20 -0.36 0.00 0.00 0.00 175.10 175.10 1jwi s PHE 19 N 1.66 3.41 -0.39 5.22 0.08 0.12 -4.97 117.98 123.11 1jwi s PHE 19 Ca 0.09 0.42 0.23 0.00 0.12 0.00 0.00 56.93 57.79 1jwi s PHE 19 Cb -0.15 -2.25 0.26 0.00 -0.57 0.00 0.00 43.02 40.30 1jwi s PHE 19 CO 0.09 0.23 1.49 0.87 -0.10 0.00 0.00 175.22 177.80 1jwi h LYS 20 N 6.81 0.00 -6.25 0.44 1.57 -1.97 -2.34 116.57 114.83 1jwi h LYS 20 Ca -0.40 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 57.82 1jwi h LYS 20 Cb 1.16 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.45 1jwi h LYS 20 CO 0.75 0.02 1.17 -1.59 -0.57 0.00 0.00 179.45 179.23 1jwi s LYS 21 N -3.23 3.85 0.36 3.15 -2.85 -1.26 -4.68 119.74 115.09 1jwi s LYS 21 Ca 0.05 1.94 -0.26 0.00 -1.00 0.00 0.00 55.97 56.71 1jwi s LYS 21 Cb 0.06 -4.08 -0.09 0.00 -2.06 0.00 0.00 37.83 31.66 1jwi s LYS 21 CO 0.70 -1.24 1.08 0.14 0.10 0.00 0.00 175.35 176.12 1jwi s VAL 22 N 5.19 3.58 0.21 1.79 -7.23 -1.26 -4.62 120.40 118.06 1jwi s VAL 22 Ca 0.77 1.34 -0.20 0.00 -1.81 0.00 0.00 61.98 62.09 1jwi s VAL 22 Cb -0.30 -3.76 0.03 0.00 0.56 0.00 0.00 36.38 32.92 1jwi s VAL 22 CO 0.31 0.13 0.59 -0.83 -0.31 0.00 0.00 175.10 174.99 1jwi s GLY 23 N -1.30 -0.20 0.78 2.32 0.00 -0.80 -4.79 107.32 103.34 1jwi s GLY 23 Ca 0.53 -0.10 -0.11 0.00 0.00 0.00 0.00 44.72 45.05 1jwi s GLY 23 CO 0.33 -0.13 1.08 -0.51 0.00 0.00 0.00 173.10 173.87 1jwi s THR 24 N -3.86 3.36 0.18 0.90 -4.23 -1.26 -2.15 115.64 108.58 1jwi s THR 24 Ca 0.08 0.44 -0.14 0.00 -1.18 0.00 0.00 61.69 60.89 1jwi s THR 24 Cb -0.02 -3.02 0.11 0.00 1.34 0.00 0.00 72.50 70.91 1jwi s THR 24 CO -0.02 -0.58 1.69 -0.25 -0.54 0.00 0.00 174.62 174.92 1jwi h TRP 25 N -1.09 0.01 -0.25 3.99 7.01 -1.61 0.82 115.95 124.84 1jwi h TRP 25 Ca -0.45 0.03 0.00 0.00 2.11 0.00 0.00 58.89 60.59 1jwi h TRP 25 Cb 1.24 0.07 -0.01 0.00 -2.10 0.00 0.00 29.16 28.35 1jwi h TRP 25 CO 0.55 -0.08 0.16 1.49 -2.79 0.00 0.00 178.44 177.77 1jwi h GLU 26 N 0.14 0.33 -0.76 2.65 4.81 -1.92 -1.28 114.58 118.55 1jwi h GLU 26 Ca 0.24 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.42 1jwi h GLU 26 Cb 0.35 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.62 1jwi h GLU 26 CO -0.38 0.23 0.35 -0.44 -0.73 0.00 0.00 179.01 178.04 1jwi h ASP 27 N 0.33 0.99 -0.06 1.04 3.32 -1.79 -2.21 116.42 118.04 1jwi h ASP 27 Ca 0.09 -0.12 0.02 0.00 0.02 0.00 0.00 57.03 57.05 1jwi h ASP 27 Cb -0.03 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.24 1jwi h ASP 27 CO -0.02 0.84 -0.10 0.00 -1.72 0.00 0.00 179.24 178.24 1jwi h ALA 28 N 1.31 -0.06 -0.63 3.45 0.00 -0.30 -0.39 119.26 122.63 1jwi h ALA 28 Ca 0.26 0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.24 1jwi h ALA 28 Cb 0.12 0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.06 1jwi h ALA 28 CO -0.03 -0.57 0.36 1.49 0.00 0.00 0.00 179.25 180.50 1jwi h GLU 29 N -0.14 0.67 -0.58 0.00 4.57 -0.93 -1.48 114.58 116.69 1jwi h GLU 29 Ca 0.06 -0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 58.17 1jwi h GLU 29 Cb 0.22 -0.15 -0.03 0.00 -0.16 0.00 0.00 28.75 28.63 1jwi h GLU 29 CO -0.14 0.44 0.26 0.87 -1.18 0.00 0.00 179.01 179.26 1jwi h LYS 30 N 0.69 0.82 -0.45 1.92 1.57 -0.89 0.10 116.57 120.32 1jwi h LYS 30 Ca 0.27 -0.11 -0.13 0.00 -1.87 0.00 0.00 60.65 58.81 1jwi h LYS 30 Cb 0.12 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 1jwi h LYS 30 CO -0.15 0.65 -0.21 0.35 -0.57 0.00 0.00 179.45 179.52 1jwi h PHE 31 N 0.82 1.09 -0.53 -1.35 3.04 -0.39 -0.87 116.94 118.75 1jwi h PHE 31 Ca 0.20 -0.27 -0.06 0.00 3.98 0.00 0.00 57.97 61.82 1jwi h PHE 31 Cb 0.12 -0.25 -0.02 0.00 2.56 0.00 0.00 35.95 38.36 1jwi h PHE 31 CO 0.01 1.08 0.10 0.00 -2.02 0.00 0.00 178.31 177.47 1jwi h VAL 33 N 0.77 0.85 -0.84 0.00 2.07 -0.80 0.54 116.25 118.83 1jwi h VAL 33 Ca 0.16 0.00 0.24 0.00 0.82 0.00 0.00 66.70 67.93 1jwi h VAL 33 Cb 0.39 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 1jwi h VAL 33 CO 0.01 0.00 0.61 -0.08 0.02 0.00 0.00 177.57 178.13 1jwi h GLU 34 N -0.01 0.00 -1.02 1.57 4.81 -0.85 0.35 114.58 119.43 1jwi h GLU 34 Ca 0.07 0.00 -0.55 0.00 -0.13 0.00 0.00 59.36 58.75 1jwi h GLU 34 Cb 0.11 0.00 -0.28 0.00 0.63 0.00 0.00 28.75 29.21 1jwi h GLU 34 CO -0.15 0.00 0.71 0.09 -0.73 0.00 0.00 179.01 178.93 1jwi n ASN 35 N -4.27 5.30 -3.64 1.04 4.13 -0.09 -4.89 115.26 112.83 1jwi n ASN 35 Ca 0.17 -3.59 -0.26 0.00 1.68 0.00 0.00 54.58 52.58 1jwi n ASN 35 Cb 0.92 -0.89 0.05 0.00 -1.54 0.00 0.00 39.78 38.31 1jwi n ASN 35 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 1jwi n SER 36 N -0.94 -5.54 0.00 6.41 2.88 0.12 -4.93 113.62 111.62 1jwi n SER 36 Ca 0.58 -0.60 0.00 0.00 -1.33 0.00 0.00 58.87 57.52 1jwi n SER 36 Cb 1.21 -4.41 0.00 0.00 -0.75 0.00 0.00 64.21 60.27 1jwi n SER 36 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1jwi n GLY 37 N -1.76 4.34 3.76 0.46 0.00 -0.01 -4.67 105.19 107.30 1jwi n GLY 37 Ca 0.01 -0.74 -0.08 0.00 0.00 0.00 0.00 46.02 45.21 1jwi n GLY 37 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1jwi s HIS 38 N 0.00 -0.00 0.48 1.61 3.76 -0.68 -3.16 115.29 117.30 1jwi s HIS 38 Ca 0.00 -0.42 -0.24 0.00 -0.15 0.00 0.00 55.06 54.26 1jwi s HIS 38 Cb 0.00 0.53 -0.07 0.00 1.11 0.00 0.00 32.58 34.15 1jwi s HIS 38 CO 0.00 -1.15 1.33 -0.51 -0.85 0.00 0.00 174.74 173.57 1jwi s LEU 39 N -2.95 4.02 0.29 0.89 1.43 -1.26 -0.80 118.68 120.30 1jwi s LEU 39 Ca 0.15 2.71 -0.30 0.00 -1.03 0.00 0.00 54.13 55.66 1jwi s LEU 39 Cb -0.04 -4.10 -0.13 0.00 0.03 0.00 0.00 46.19 41.95 1jwi s LEU 39 CO 0.07 -1.21 1.38 0.00 0.23 0.00 0.00 176.35 176.82 1jwi n ALA 40 N -0.48 1.36 -2.58 4.21 0.00 -0.19 -4.07 120.51 118.76 1jwi n ALA 40 Ca 0.07 0.39 -0.32 0.00 0.00 0.00 0.00 53.44 53.58 1jwi n ALA 40 Cb 0.44 -2.29 -0.11 0.00 0.00 0.00 0.00 19.45 17.50 1jwi n ALA 40 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1jwi s SER 41 N 0.05 4.49 -0.16 0.00 1.04 -1.26 -0.71 113.70 117.16 1jwi s SER 41 Ca 0.62 -0.22 0.02 0.00 0.48 0.00 0.00 55.95 56.85 1jwi s SER 41 Cb -0.60 -0.98 0.02 0.00 0.10 0.00 0.00 66.02 64.56 1jwi s SER 41 CO 0.55 0.26 -0.20 -0.63 0.98 0.00 0.00 173.24 174.20 1jwi s ILE 42 N -1.03 2.01 -0.90 -1.02 1.01 -1.26 -5.02 121.20 115.00 1jwi s ILE 42 Ca 0.18 -0.93 0.12 0.00 0.00 0.00 0.00 60.65 60.02 1jwi s ILE 42 Cb -0.11 -1.80 -0.06 0.00 0.01 0.00 0.00 42.46 40.50 1jwi s ILE 42 CO 0.08 0.54 0.63 -0.67 0.00 0.00 0.00 174.94 175.52 1jwi n ASP 43 N 4.38 1.04 -3.73 3.58 4.64 -1.26 -5.01 116.55 120.19 1jwi n ASP 43 Ca -0.20 -1.02 -0.10 0.00 -1.38 0.00 0.00 54.79 52.09 1jwi n ASP 43 Cb 0.51 0.69 -0.05 0.00 -1.04 0.00 0.00 41.12 41.23 1jwi n ASP 43 CO 0.00 0.00 0.00 -0.94 -0.82 0.00 0.00 177.20 175.44 1jwi s SER 44 N -1.80 -0.16 0.33 1.67 1.04 -1.26 -5.03 113.70 108.49 1jwi s SER 44 Ca 0.08 -0.47 0.02 0.00 0.48 0.00 0.00 55.95 56.05 1jwi s SER 44 Cb 0.10 0.48 0.56 0.00 0.10 0.00 0.00 66.02 67.26 1jwi s SER 44 CO 0.39 -0.89 1.94 0.50 0.98 0.00 0.00 173.24 176.15 1jwi h LYS 45 N 2.40 0.79 -0.41 4.02 1.63 -1.98 0.30 116.57 123.32 1jwi h LYS 45 Ca -0.32 -0.09 -0.05 0.00 -0.85 0.00 0.00 60.65 59.33 1jwi h LYS 45 Cb 1.25 -0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 32.71 1jwi h LYS 45 CO 0.46 0.61 0.04 1.49 -3.45 0.00 0.00 179.45 178.60 1jwi h GLU 46 N 0.79 0.69 -0.71 1.90 4.81 -1.99 -0.20 114.58 119.88 1jwi h GLU 46 Ca 0.20 -0.20 -0.07 0.00 -0.13 0.00 0.00 59.36 59.16 1jwi h GLU 46 Cb 0.07 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.35 1jwi h GLU 46 CO -0.03 0.75 0.16 1.49 -0.73 0.00 0.00 179.01 180.65 1jwi h GLU 47 N 0.53 1.14 -0.34 1.92 4.81 -1.85 -2.48 114.58 118.32 1jwi h GLU 47 Ca 0.12 -0.28 0.05 0.00 -0.13 0.00 0.00 59.36 59.12 1jwi h GLU 47 Cb 0.41 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 29.60 1jwi h GLU 47 CO 0.01 1.01 0.08 0.00 -0.73 0.00 0.00 179.01 179.38 1jwi h ALA 48 N 1.09 0.37 -0.26 2.92 0.00 -0.56 -1.09 119.26 121.72 1jwi h ALA 48 Ca 0.22 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 1jwi h ALA 48 Cb 0.39 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1jwi h ALA 48 CO 0.01 -0.32 0.11 -0.44 0.00 0.00 0.00 179.25 178.61 1jwi h ASP 49 N 0.21 0.32 0.06 0.00 3.32 -0.79 0.04 116.42 119.57 1jwi h ASP 49 Ca 0.16 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.18 1jwi h ASP 49 Cb 0.16 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.63 1jwi h ASP 49 CO -0.19 0.29 -0.03 0.15 -1.72 0.00 0.00 179.24 177.74 1jwi h PHE 50 N 0.36 -0.07 -0.90 4.55 3.57 -0.86 -1.86 116.94 121.72 1jwi h PHE 50 Ca 0.09 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.62 1jwi h PHE 50 Cb 0.06 0.02 -0.05 0.00 2.79 0.00 0.00 35.95 38.78 1jwi h PHE 50 CO 0.00 0.34 0.59 0.28 -2.23 0.00 0.00 178.31 177.30 1jwi h VAL 51 N -0.51 1.19 -0.67 1.41 2.07 -0.86 0.31 116.25 119.19 1jwi h VAL 51 Ca -0.01 -0.40 -0.06 0.00 0.82 0.00 0.00 66.70 67.05 1jwi h VAL 51 Cb 0.45 -0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.10 1jwi h VAL 51 CO 0.01 0.21 0.17 0.74 0.02 0.00 0.00 177.57 178.73 1jwi h THR 52 N 1.17 1.25 -0.20 2.57 2.02 -0.96 -1.08 112.91 117.68 1jwi h THR 52 Ca 0.35 -0.91 -0.07 0.00 0.77 0.00 0.00 66.41 66.55 1jwi h THR 52 Cb -0.05 0.55 -0.00 0.00 -1.74 0.00 0.00 68.15 66.91 1jwi h THR 52 CO -0.09 0.35 -0.14 0.50 0.37 0.00 0.00 175.52 176.51 1jwi h LYS 53 N 1.00 0.45 -0.44 6.66 3.64 -0.44 -0.95 116.57 126.48 1jwi h LYS 53 Ca 0.21 -0.21 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1jwi h LYS 53 Cb 0.33 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.13 1jwi h LYS 53 CO -0.00 0.76 0.28 1.25 -2.27 0.00 0.00 179.45 179.47 1jwi h LEU 54 N 0.13 0.51 -0.62 5.20 5.85 -0.82 -1.54 115.31 124.03 1jwi h LEU 54 Ca 0.04 -0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.69 1jwi h LEU 54 Cb 0.65 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.53 1jwi h LEU 54 CO 0.04 0.39 0.23 0.00 -0.34 0.00 0.00 178.44 178.75 1jwi h ALA 55 N 1.15 0.80 0.00 1.25 0.00 -1.17 -2.50 119.26 118.79 1jwi h ALA 55 Ca 0.16 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1jwi h ALA 55 Cb -0.05 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1jwi h ALA 55 CO -0.03 0.43 -0.21 0.77 0.00 0.00 0.00 179.25 180.21 1jwi h SER 56 N 0.86 0.00 -0.02 0.00 0.02 -0.82 -1.08 113.55 112.51 1jwi h SER 56 Ca 0.20 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 1jwi h SER 56 Cb 0.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.77 1jwi h SER 56 CO -0.01 0.21 -0.01 0.00 -1.14 0.00 0.00 176.83 175.88 1jwi n GLN 57 N -4.26 2.00 -0.01 3.45 6.02 -0.61 -4.26 117.38 119.71 1jwi n GLN 57 Ca -0.02 -1.48 -0.01 0.00 -0.01 0.00 0.00 57.00 55.48 1jwi n GLN 57 Cb 0.27 -1.47 -0.03 0.00 1.02 0.00 0.00 30.24 30.04 1jwi n GLN 57 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 1jwi n THR 58 N 0.79 0.16 -1.82 5.09 -1.04 -0.97 -5.08 114.28 111.42 1jwi n THR 58 Ca 0.16 -0.12 0.00 0.00 -2.04 0.00 0.00 64.05 62.05 1jwi n THR 58 Cb 0.49 -0.51 0.00 0.00 -1.82 0.00 0.00 70.33 68.49 1jwi n THR 58 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1jwi n LEU 59 N -1.97 0.00 -3.73 -4.42 4.77 -0.43 -5.05 117.00 106.17 1jwi n LEU 59 Ca -0.04 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.65 1jwi n LEU 59 Cb 0.45 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.41 1jwi n LEU 59 CO 0.07 0.00 -0.22 -0.36 -1.33 0.00 0.00 177.39 175.55 1jwi s PHE 62 N 2.18 2.24 -0.01 -1.77 0.40 -1.26 -5.05 117.98 114.72 1jwi s PHE 62 Ca 0.00 -2.62 0.01 0.00 -0.60 0.00 0.00 56.93 53.72 1jwi s PHE 62 Cb 0.00 -2.01 -0.01 0.00 0.51 0.00 0.00 43.02 41.51 1jwi s PHE 62 CO 0.00 -0.75 0.03 1.33 0.70 0.00 0.00 175.22 176.53 1jwi n VAL 63 N 3.21 0.00 -4.36 -0.44 0.24 -1.26 -5.00 118.33 110.72 1jwi n VAL 63 Ca 0.12 -0.13 -0.24 0.00 -2.04 0.00 0.00 64.34 62.06 1jwi n VAL 63 Cb 0.36 0.60 -0.11 0.00 -1.47 0.00 0.00 33.84 33.21 1jwi n VAL 63 CO 0.00 0.00 0.00 -0.31 -2.14 0.00 0.00 176.83 174.38 1jwi s TYR 64 N -1.84 1.99 0.67 6.34 2.02 -1.26 -5.08 117.35 120.19 1jwi s TYR 64 Ca -0.00 -0.43 -0.06 0.00 -0.37 0.00 0.00 57.07 56.21 1jwi s TYR 64 Cb 0.01 -0.99 0.05 0.00 -0.40 0.00 0.00 41.96 40.62 1jwi s TYR 64 CO 0.04 0.39 0.97 -0.51 -1.57 0.00 0.00 175.55 174.87 1jwi s ASP 65 N -2.65 5.01 -0.09 2.29 1.11 -1.26 -4.55 116.67 116.53 1jwi s ASP 65 Ca 0.17 0.47 0.01 0.00 0.18 0.00 0.00 52.55 53.39 1jwi s ASP 65 Cb -0.07 -1.21 0.02 0.00 1.07 0.00 0.00 42.92 42.73 1jwi s ASP 65 CO 0.08 -1.46 -0.10 0.00 1.18 0.00 0.00 175.17 174.87 1jwi s ALA 66 N -3.16 1.27 0.32 5.23 0.00 -1.07 -3.84 121.76 120.52 1jwi s ALA 66 Ca 0.59 -0.46 -0.29 0.00 0.00 0.00 0.00 51.96 51.79 1jwi s ALA 66 Cb -0.11 -0.71 -0.11 0.00 0.00 0.00 0.00 23.12 22.19 1jwi s ALA 66 CO 0.44 -0.12 1.52 -1.58 0.00 0.00 0.00 175.76 176.02 1jwi s TRP 67 N 1.12 2.73 0.34 0.00 0.23 -0.65 0.42 118.94 123.14 1jwi s TRP 67 Ca -0.06 1.00 0.05 0.00 -2.03 0.00 0.00 56.10 55.06 1jwi s TRP 67 Cb -0.14 -4.00 -0.07 0.00 0.03 0.00 0.00 33.47 29.29 1jwi s TRP 67 CO -0.02 -3.14 0.04 0.96 0.96 0.00 0.00 176.95 175.75 1jwi s ILE 68 N -0.53 1.41 -0.99 2.03 -4.36 -1.02 -2.78 121.20 114.97 1jwi s ILE 68 Ca 0.58 -2.01 0.00 0.00 -0.26 0.00 0.00 60.65 58.96 1jwi s ILE 68 Cb -0.46 -2.82 0.00 0.00 1.25 0.00 0.00 42.46 40.43 1jwi s ILE 68 CO 0.54 -0.02 0.41 0.61 0.24 0.00 0.00 174.94 176.72 1jwi n GLY 69 N -0.75 1.24 3.81 6.27 0.00 0.11 -4.66 105.19 111.21 1jwi n GLY 69 Ca -0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 1jwi n GLY 69 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1jwi s LEU 70 N 0.00 4.36 -0.03 0.99 2.96 -1.26 -4.97 118.68 120.73 1jwi s LEU 70 Ca 0.00 0.61 -0.06 0.00 -0.22 0.00 0.00 54.13 54.45 1jwi s LEU 70 Cb 0.00 -2.31 0.01 0.00 0.50 0.00 0.00 46.19 44.39 1jwi s LEU 70 CO 0.00 0.28 0.14 -0.60 -1.32 0.00 0.00 176.35 174.85 1jwi s ARG 71 N -0.50 0.33 -0.48 1.98 3.52 -1.26 -1.86 118.95 120.68 1jwi s ARG 71 Ca 0.17 -0.10 -0.26 0.00 -0.13 0.00 0.00 55.73 55.41 1jwi s ARG 71 Cb -0.14 0.14 0.03 0.00 -1.56 0.00 0.00 34.95 33.43 1jwi s ARG 71 CO 0.06 -0.07 1.00 0.34 -0.81 0.00 0.00 175.30 175.82 1jwi s ASP 72 N -0.65 6.51 0.00 -2.12 3.68 0.11 -4.92 116.67 119.28 1jwi s ASP 72 Ca -0.07 0.16 0.19 0.00 2.13 0.00 0.00 52.55 54.96 1jwi s ASP 72 Cb -0.04 -2.48 0.99 0.00 -1.45 0.00 0.00 42.92 39.94 1jwi s ASP 72 CO 0.01 -1.15 1.66 1.21 0.13 0.00 0.00 175.17 177.03 1jwi n GLU 73 N 7.46 1.23 -1.82 4.34 4.07 -1.26 -4.92 120.64 129.74 1jwi n GLU 73 Ca 0.07 -0.35 -0.37 0.00 -0.06 0.00 0.00 57.16 56.45 1jwi n GLU 73 Cb 0.49 -1.32 0.05 0.00 -0.06 0.00 0.00 31.44 30.59 1jwi n GLU 73 CO 0.00 0.00 0.00 -1.54 -0.06 0.00 0.00 177.13 175.53 1jwi s SER 74 N -1.58 5.05 0.31 4.31 1.04 -1.26 -4.91 113.70 116.68 1jwi s SER 74 Ca 0.29 2.64 0.24 0.00 0.48 0.00 0.00 55.95 59.61 1jwi s SER 74 Cb 0.14 -2.62 0.49 0.00 0.10 0.00 0.00 66.02 64.13 1jwi s SER 74 CO 0.23 -1.71 1.61 0.07 0.98 0.00 0.00 173.24 174.42 1jwi h LYS 75 N 1.08 0.00 -7.51 4.02 2.10 -1.91 -3.46 116.57 110.88 1jwi h LYS 75 Ca -0.51 0.00 -0.47 0.00 -2.00 0.00 0.00 60.65 57.67 1jwi h LYS 75 Cb 1.31 0.00 0.11 0.00 -0.90 0.00 0.00 32.23 32.75 1jwi h LYS 75 CO 0.56 0.00 0.36 0.95 -2.00 0.00 0.00 179.45 179.32 1jwi s THR 76 N -3.18 2.48 0.19 0.07 -4.23 -1.26 -4.98 115.64 104.73 1jwi s THR 76 Ca 0.08 0.15 -0.08 0.00 -1.18 0.00 0.00 61.69 60.66 1jwi s THR 76 Cb 0.09 -3.02 0.09 0.00 1.34 0.00 0.00 72.50 70.99 1jwi s THR 76 CO 0.66 -0.20 1.67 1.56 -0.54 0.00 0.00 174.62 177.77 1jwi h GLN 77 N -1.13 1.09 -5.34 3.99 4.20 -1.97 -3.44 115.11 112.50 1jwi h GLN 77 Ca -0.47 -0.32 -0.63 0.00 0.06 0.00 0.00 58.65 57.29 1jwi h GLN 77 Cb 1.30 -0.11 -0.13 0.00 0.30 0.00 0.00 27.48 28.84 1jwi h GLN 77 CO 0.63 1.03 -0.55 1.14 -0.67 0.00 0.00 178.83 180.40 1jwi s GLN 78 N -5.11 2.04 0.31 1.46 1.03 -1.26 -4.62 119.66 113.51 1jwi s GLN 78 Ca -0.12 -2.24 0.17 0.00 0.04 0.00 0.00 55.36 53.21 1jwi s GLN 78 Cb 0.14 -1.41 0.18 0.00 0.03 0.00 0.00 33.01 31.94 1jwi s GLN 78 CO 0.85 -0.26 1.50 0.00 -2.54 0.00 0.00 175.29 174.85 1jwi s SER 80 N -6.41 6.83 0.08 0.00 0.15 -1.26 -4.90 113.70 108.19 1jwi s SER 80 Ca 0.04 2.13 0.27 0.00 0.70 0.00 0.00 55.95 59.09 1jwi s SER 80 Cb 0.08 -2.56 0.89 0.00 -1.71 0.00 0.00 66.02 62.71 1jwi s SER 80 CO 0.73 -0.74 1.73 -0.81 1.20 0.00 0.00 173.24 175.35 1jwi n PRO 81 N 5.48 0.11 -3.84 5.44 -0.04 -1.26 -4.77 135.00 136.12 1jwi n PRO 81 Ca 0.13 0.07 -0.10 0.00 -0.04 0.00 0.00 63.50 63.57 1jwi n PRO 81 Cb 0.43 -1.61 -0.08 0.00 -0.04 0.00 0.00 33.50 32.20 1jwi n PRO 81 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1jwi s GLN 82 N -3.05 0.73 0.72 0.54 -0.21 -1.26 -1.46 119.66 115.66 1jwi s GLN 82 Ca 0.12 -0.68 -0.07 0.00 0.02 0.00 0.00 55.36 54.74 1jwi s GLN 82 Cb 0.16 0.30 0.06 0.00 1.00 0.00 0.00 33.01 34.54 1jwi s GLN 82 CO 0.60 -0.22 1.03 -1.58 -2.12 0.00 0.00 175.29 173.01 1jwi s TRP 83 N -2.80 2.91 0.19 0.91 0.52 -0.50 -4.89 118.94 115.27 1jwi s TRP 83 Ca -0.03 0.47 0.35 0.00 0.02 0.00 0.00 56.10 56.91 1jwi s TRP 83 Cb 0.00 -3.23 1.57 0.00 -1.15 0.00 0.00 33.47 30.66 1jwi s TRP 83 CO -0.05 -1.46 2.05 1.79 0.02 0.00 0.00 176.95 179.30 1jwi h THR 84 N -0.65 0.00 -0.04 2.01 1.35 -2.02 -1.29 112.91 112.26 1jwi h THR 84 Ca -0.45 -0.39 0.00 0.00 -0.55 0.00 0.00 66.41 65.02 1jwi h THR 84 Cb 1.32 1.37 0.00 0.00 -1.73 0.00 0.00 68.15 69.11 1jwi h THR 84 CO 0.61 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 174.98 1jwi n ASP 85 N -3.04 0.67 0.00 5.36 3.85 -1.26 -4.90 116.55 117.22 1jwi n ASP 85 Ca -0.00 -1.39 0.00 0.00 -0.71 0.00 0.00 54.79 52.69 1jwi n ASP 85 Cb 0.25 -0.02 0.00 0.00 -1.35 0.00 0.00 41.12 40.00 1jwi n ASP 85 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1jwi n GLY 86 N 1.00 1.11 3.83 6.12 0.00 -0.49 -5.05 105.19 111.71 1jwi n GLY 86 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 1jwi n GLY 86 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jwi s SER 87 N -3.08 6.81 0.55 1.61 1.04 -1.26 -4.78 113.70 114.60 1jwi s SER 87 Ca 0.00 1.62 -0.19 0.00 0.48 0.00 0.00 55.95 57.86 1jwi s SER 87 Cb 0.00 -2.52 -0.05 0.00 0.10 0.00 0.00 66.02 63.55 1jwi s SER 87 CO 0.00 -0.44 1.14 -0.44 0.98 0.00 0.00 173.24 174.48 1jwi s SER 88 N -2.52 5.65 -0.46 7.02 0.01 -1.26 -1.42 113.70 120.73 1jwi s SER 88 Ca 0.60 2.19 -0.23 0.00 1.31 0.00 0.00 55.95 59.83 1jwi s SER 88 Cb -0.09 -2.58 0.03 0.00 0.21 0.00 0.00 66.02 63.58 1jwi s SER 88 CO 0.20 -1.27 0.76 -0.69 0.41 0.00 0.00 173.24 172.66 1jwi s VAL 89 N -1.77 4.67 0.06 3.43 1.01 -0.53 -4.79 120.40 122.48 1jwi s VAL 89 Ca 0.73 0.34 -0.02 0.00 0.00 0.00 0.00 61.98 63.03 1jwi s VAL 89 Cb -0.24 -4.31 -0.01 0.00 0.00 0.00 0.00 36.38 31.82 1jwi s VAL 89 CO 0.28 -0.72 -0.04 0.52 0.00 0.00 0.00 175.10 175.14 1jwi n VAL 90 N 6.08 1.21 -2.69 2.92 0.31 -1.26 -4.94 118.33 119.96 1jwi n VAL 90 Ca 0.01 0.36 -0.41 0.00 -0.01 0.00 0.00 64.34 64.29 1jwi n VAL 90 Cb 0.48 -1.67 -0.05 0.00 -0.91 0.00 0.00 33.84 31.69 1jwi n VAL 90 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 1jwi s TYR 91 N -2.10 3.82 -0.01 3.52 5.04 -1.26 -5.05 117.35 121.31 1jwi s TYR 91 Ca -0.03 1.79 -0.04 0.00 -2.44 0.00 0.00 57.07 56.36 1jwi s TYR 91 Cb 0.01 -3.08 -0.00 0.00 0.35 0.00 0.00 41.96 39.23 1jwi s TYR 91 CO 0.05 0.11 0.08 -1.21 -1.34 0.00 0.00 175.55 173.23 1jwi s GLU 92 N -0.43 0.28 -0.31 4.97 2.02 -1.26 -5.07 118.70 118.90 1jwi s GLU 92 Ca 0.46 -0.23 0.19 0.00 0.02 0.00 0.00 54.97 55.41 1jwi s GLU 92 Cb -0.25 0.11 0.47 0.00 0.10 0.00 0.00 34.13 34.56 1jwi s GLU 92 CO 0.32 -0.05 1.00 -1.71 0.02 0.00 0.00 175.26 174.83 1jwi n ASN 93 N 2.16 1.33 -4.71 -0.19 4.05 -1.26 -5.08 115.26 111.56 1jwi n ASN 93 Ca -0.19 -2.55 -0.42 0.00 0.45 0.00 0.00 54.58 51.88 1jwi n ASN 93 Cb 0.57 -0.46 -0.03 0.00 1.23 0.00 0.00 39.78 41.09 1jwi n ASN 93 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 1jwi s VAL 94 N -3.13 3.20 0.09 3.44 1.01 -1.26 -4.94 120.40 118.81 1jwi s VAL 94 Ca 0.27 0.83 -0.34 0.00 0.00 0.00 0.00 61.98 62.73 1jwi s VAL 94 Cb 0.43 -3.53 -0.15 0.00 0.00 0.00 0.00 36.38 33.12 1jwi s VAL 94 CO 0.02 0.05 1.58 -0.78 0.00 0.00 0.00 175.10 175.97 1jwi h ASP 95 N 7.00 -1.30 -2.58 3.32 -0.00 -2.01 -3.40 116.42 117.45 1jwi h ASP 95 Ca -0.42 0.11 -0.47 0.00 -0.00 0.00 0.00 57.03 56.25 1jwi h ASP 95 Cb 1.20 0.44 -0.38 0.00 -0.00 0.00 0.00 39.33 40.60 1jwi h ASP 95 CO 0.88 -0.61 -0.74 -0.70 -0.00 0.00 0.00 179.24 178.07 1jwi s GLU 96 N -5.90 0.25 0.40 0.28 2.12 -1.26 -5.13 118.70 109.47 1jwi s GLU 96 Ca -0.17 -0.46 -0.27 0.00 0.36 0.00 0.00 54.97 54.42 1jwi s GLU 96 Cb 0.05 -1.01 -0.10 0.00 0.26 0.00 0.00 34.13 33.33 1jwi s GLU 96 CO 0.61 -1.04 1.48 -2.14 -0.54 0.00 0.00 175.26 173.64 1jwi s PRO 97 N 2.12 3.97 -0.44 4.30 0.02 -1.26 -4.94 135.00 138.75 1jwi s PRO 97 Ca 0.10 2.56 0.03 0.00 0.02 0.00 0.00 61.00 63.70 1jwi s PRO 97 Cb -0.16 -2.87 0.12 0.00 0.02 0.00 0.00 34.50 31.62 1jwi s PRO 97 CO -0.33 -0.64 0.20 0.95 -0.33 0.00 0.00 177.00 176.84 1jwi s THR 98 N -1.14 2.01 -0.88 0.99 -4.23 -1.26 -4.34 115.64 106.79 1jwi s THR 98 Ca 0.55 -2.72 0.09 0.00 -1.18 0.00 0.00 61.69 58.42 1jwi s THR 98 Cb -0.46 -2.43 0.02 0.00 1.34 0.00 0.00 72.50 70.97 1jwi s THR 98 CO 0.62 -0.78 0.64 0.29 -0.54 0.00 0.00 174.62 174.86 1jwi n LYS 99 N 3.62 1.50 -4.27 3.99 5.02 -1.16 -4.52 118.16 122.34 1jwi n LYS 99 Ca 0.05 -0.72 -0.31 0.00 -2.02 0.00 0.00 58.31 55.31 1jwi n LYS 99 Cb 0.36 -1.08 -0.09 0.00 -0.02 0.00 0.00 35.03 34.20 1jwi n LYS 99 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1jwi s PHE 101 N -1.16 2.73 0.22 0.00 0.40 -0.78 0.29 117.98 119.68 1jwi s PHE 101 Ca 0.21 -0.16 -0.10 0.00 -0.60 0.00 0.00 56.93 56.28 1jwi s PHE 101 Cb -0.11 -1.43 -0.01 0.00 0.51 0.00 0.00 43.02 41.98 1jwi s PHE 101 CO 0.13 0.42 0.38 0.20 0.70 0.00 0.00 175.22 177.05 1jwi s GLY 102 N -2.19 0.65 -0.03 4.36 0.00 -0.82 -2.43 107.32 106.86 1jwi s GLY 102 Ca 0.21 -0.99 -0.30 0.00 0.00 0.00 0.00 44.72 43.64 1jwi s GLY 102 CO 0.13 -0.79 1.30 1.08 0.00 0.00 0.00 173.10 174.82 1jwi s LEU 103 N -3.03 4.30 -0.24 0.66 1.43 0.17 -1.47 118.68 120.49 1jwi s LEU 103 Ca 0.24 1.96 -0.29 0.00 -1.03 0.00 0.00 54.13 55.00 1jwi s LEU 103 Cb 0.01 -3.56 -0.02 0.00 0.03 0.00 0.00 46.19 42.66 1jwi s LEU 103 CO 0.07 -0.65 1.46 -0.62 0.23 0.00 0.00 176.35 176.84 1jwi s ASP 104 N 1.68 6.56 0.47 2.29 -1.08 -0.26 -2.58 116.67 123.74 1jwi s ASP 104 Ca 0.60 1.49 0.13 0.00 -0.52 0.00 0.00 52.55 54.25 1jwi s ASP 104 Cb -0.28 -2.54 1.10 0.00 -1.46 0.00 0.00 42.92 39.75 1jwi s ASP 104 CO 0.24 -1.13 2.09 1.62 0.52 0.00 0.00 175.17 178.51 1jwi h VAL 105 N 5.99 1.01 0.00 1.11 3.04 -1.90 0.03 116.25 125.53 1jwi h VAL 105 Ca -0.30 -0.09 0.00 0.00 -1.01 0.00 0.00 66.70 65.30 1jwi h VAL 105 Cb 1.13 0.73 0.00 0.00 -2.01 0.00 0.00 31.29 31.14 1jwi h VAL 105 CO 1.01 0.05 0.00 0.45 -1.01 0.00 0.00 177.57 178.07 1jwi h HIS 106 N 0.25 0.00 -0.13 3.17 3.86 -1.94 -1.74 115.15 118.62 1jwi h HIS 106 Ca 0.11 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.32 1jwi h HIS 106 Cb 0.11 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.58 1jwi h HIS 106 CO -0.00 0.00 0.00 0.25 0.86 0.00 0.00 177.93 179.04 1jwi n THR 107 N -2.30 1.85 -3.57 2.45 -2.24 -0.88 -4.95 114.28 104.65 1jwi n THR 107 Ca 0.02 -1.86 -0.21 0.00 -2.27 0.00 0.00 64.05 59.73 1jwi n THR 107 Cb 0.21 -0.09 0.07 0.00 -2.10 0.00 0.00 70.33 68.42 1jwi n THR 107 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1jwi n GLU 108 N -0.79 -6.87 -2.01 -0.78 1.02 -0.65 -2.16 120.64 108.39 1jwi n GLU 108 Ca 0.16 0.80 -0.18 0.00 -0.02 0.00 0.00 57.16 57.91 1jwi n GLU 108 Cb 0.67 -5.77 -0.04 0.00 -0.02 0.00 0.00 31.44 26.29 1jwi n GLU 108 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1jwi n TYR 109 N -4.53 -0.51 0.02 -0.32 4.01 -0.05 -4.88 117.16 110.89 1jwi n TYR 109 Ca -0.15 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.55 1jwi n TYR 109 Cb 0.62 -3.41 -0.10 0.00 -0.31 0.00 0.00 39.34 36.14 1jwi n TYR 109 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 1jwi h ARG 110 N 0.00 0.00 -5.29 -0.72 9.65 -1.61 -3.42 114.38 112.99 1jwi h ARG 110 Ca -0.41 0.00 -0.57 0.00 -1.10 0.00 0.00 59.98 57.90 1jwi h ARG 110 Cb 1.27 0.00 -0.13 0.00 -1.39 0.00 0.00 29.97 29.72 1jwi h ARG 110 CO 0.53 0.48 -0.57 0.95 2.80 0.00 0.00 179.97 184.16 1jwi s THR 111 N -2.77 1.26 -0.00 0.20 -4.23 -1.26 -5.02 115.64 103.82 1jwi s THR 111 Ca -0.02 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.50 1jwi s THR 111 Cb 0.08 -2.63 -0.04 0.00 1.34 0.00 0.00 72.50 71.26 1jwi s THR 111 CO 0.81 0.00 0.02 0.26 -0.54 0.00 0.00 174.62 175.17 1jwi s TRP 112 N -3.05 3.13 0.04 3.99 0.51 -1.26 -1.10 118.94 121.19 1jwi s TRP 112 Ca 0.27 0.12 0.02 0.00 -2.12 0.00 0.00 56.10 54.39 1jwi s TRP 112 Cb 0.06 -1.69 -0.02 0.00 -0.81 0.00 0.00 33.47 31.01 1jwi s TRP 112 CO 0.13 0.49 -0.07 -0.08 -0.51 0.00 0.00 176.95 176.91 1jwi s THR 113 N -1.11 0.51 0.02 2.01 -1.32 -0.54 -4.85 115.64 110.35 1jwi s THR 113 Ca 0.20 -0.97 -0.26 0.00 -1.21 0.00 0.00 61.69 59.45 1jwi s THR 113 Cb -0.12 -0.56 -0.05 0.00 -1.51 0.00 0.00 72.50 70.26 1jwi s THR 113 CO 0.11 -0.33 0.80 1.51 -2.21 0.00 0.00 174.62 174.50 1jwi s ASP 114 N -1.40 7.21 0.15 8.08 3.84 -1.26 -1.94 116.67 131.34 1jwi s ASP 114 Ca -0.09 1.45 0.01 0.00 -0.00 0.00 0.00 52.55 53.92 1jwi s ASP 114 Cb -0.09 -2.48 -0.04 0.00 -1.38 0.00 0.00 42.92 38.92 1jwi s ASP 114 CO 0.00 -0.06 0.01 -0.76 -0.00 0.00 0.00 175.17 174.36 1jwi s LEU 115 N 0.31 2.06 0.04 2.11 1.43 0.15 -4.96 118.68 119.82 1jwi s LEU 115 Ca 0.41 -1.16 -0.30 0.00 -1.03 0.00 0.00 54.13 52.05 1jwi s LEU 115 Cb -0.20 0.07 -0.07 0.00 0.03 0.00 0.00 46.19 46.02 1jwi s LEU 115 CO 0.23 -0.61 1.55 -2.84 0.23 0.00 0.00 176.35 174.91 1jwi s PRO 116 N -3.95 4.23 0.62 1.29 0.02 -1.26 -2.67 135.00 133.28 1jwi s PRO 116 Ca 0.22 2.18 0.35 0.00 0.02 0.00 0.00 61.00 63.77 1jwi s PRO 116 Cb 0.07 -3.58 2.00 0.00 0.02 0.00 0.00 34.50 33.00 1jwi s PRO 116 CO 0.02 -0.67 2.25 0.00 -0.33 0.00 0.00 177.00 178.27 1jwi n GLY 118 N -1.25 -0.31 3.77 0.00 0.00 -1.26 -2.18 105.19 103.96 1jwi n GLY 118 Ca -0.02 -0.35 -0.38 0.00 0.00 0.00 0.00 46.02 45.26 1jwi n GLY 118 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1jwi s GLU 119 N -1.98 4.36 -0.32 1.61 2.12 -0.64 -4.79 118.70 119.06 1jwi s GLU 119 Ca 0.40 1.62 -0.17 0.00 0.36 0.00 0.00 54.97 57.18 1jwi s GLU 119 Cb 0.20 -2.81 -0.01 0.00 0.26 0.00 0.00 34.13 31.77 1jwi s GLU 119 CO 0.33 0.01 0.46 0.15 -0.54 0.00 0.00 175.26 175.67 1jwi s LYS 120 N -2.06 3.73 0.08 4.30 1.02 -1.26 -4.07 119.74 121.48 1jwi s LYS 120 Ca 0.52 -0.13 -0.00 0.00 0.02 0.00 0.00 55.97 56.38 1jwi s LYS 120 Cb -0.26 -3.76 -0.04 0.00 -0.52 0.00 0.00 37.83 33.25 1jwi s LYS 120 CO 0.33 -0.52 -0.01 -0.80 -0.92 0.00 0.00 175.35 173.42 1jwi s ASN 121 N 1.71 0.61 1.04 2.83 0.01 -0.91 -4.70 114.94 115.52 1jwi s ASN 121 Ca 0.17 -1.06 -0.14 0.00 -0.71 0.00 0.00 52.86 51.12 1jwi s ASN 121 Cb -0.16 0.20 0.21 0.00 0.41 0.00 0.00 41.25 41.91 1jwi s ASN 121 CO 0.12 -0.60 1.11 -2.16 -1.51 0.00 0.00 177.10 174.05 1jwi s PRO 122 N -3.93 0.09 0.26 -0.60 0.04 -1.25 -1.90 135.00 127.71 1jwi s PRO 122 Ca 0.13 0.31 -0.10 0.00 0.04 0.00 0.00 61.00 61.38 1jwi s PRO 122 Cb 0.07 -1.72 -0.01 0.00 0.04 0.00 0.00 34.50 32.89 1jwi s PRO 122 CO -0.06 -2.91 0.44 -0.59 0.04 0.00 0.00 177.00 173.92 1jwi s PHE 123 N -3.04 0.55 -0.10 0.56 -0.71 -0.88 -1.63 117.98 112.73 1jwi s PHE 123 Ca 0.67 -0.88 0.01 0.00 -1.04 0.00 0.00 56.93 55.68 1jwi s PHE 123 Cb -0.16 0.07 0.02 0.00 -1.21 0.00 0.00 43.02 41.74 1jwi s PHE 123 CO 0.57 -0.97 -0.11 -1.50 -1.34 0.00 0.00 175.22 171.86 1jwi s ILE 124 N -3.89 1.22 0.17 -4.49 2.07 -1.12 0.15 121.20 115.31 1jwi s ILE 124 Ca 0.26 -0.45 0.01 0.00 -1.41 0.00 0.00 60.65 59.05 1jwi s ILE 124 Cb 0.00 -1.16 -0.04 0.00 0.13 0.00 0.00 42.46 41.39 1jwi s ILE 124 CO 0.11 0.39 0.33 0.00 -1.91 0.00 0.00 174.94 173.86 1jwi s LYS 126 N -3.26 0.05 0.00 0.00 2.20 0.02 -2.56 119.74 116.20 1jwi s LYS 126 Ca 0.36 0.27 0.00 0.00 -0.36 0.00 0.00 55.97 56.25 1jwi s LYS 126 Cb -0.11 -0.16 0.00 0.00 -1.51 0.00 0.00 37.83 36.05 1jwi s LYS 126 CO 0.29 -0.14 0.00 -1.13 -0.36 0.00 0.00 175.35 174.01