#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d5p n GLU 2 N 0.00 0.00 -2.90 1.61 1.02 -1.26 -5.23 120.64 113.88 3d5p n GLU 2 Ca 0.00 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.72 3d5p n GLU 2 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.38 3d5p n GLU 2 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3d5p s VAL 3 N -0.63 4.75 -0.49 2.62 1.01 -1.26 -5.00 120.40 121.39 3d5p s VAL 3 Ca 0.00 1.24 -0.07 0.00 0.00 0.00 0.00 61.98 63.15 3d5p s VAL 3 Cb 0.00 -4.19 0.13 0.00 0.00 0.00 0.00 36.38 32.31 3d5p s VAL 3 CO 0.00 -0.30 0.35 -0.63 0.00 0.00 0.00 175.10 174.52 3d5p s ILE 4 N 3.07 4.02 -0.25 2.22 -1.09 -1.26 -5.06 121.20 122.86 3d5p s ILE 4 Ca 0.34 -2.01 -0.09 0.00 -2.23 0.00 0.00 60.65 56.66 3d5p s ILE 4 Cb -0.14 -3.66 -0.04 0.00 -1.58 0.00 0.00 42.46 37.04 3d5p s ILE 4 CO 0.13 -0.78 0.14 -0.70 -1.23 0.00 0.00 174.94 172.50 3d5p s GLU 5 N 1.10 3.91 0.02 2.79 2.12 -1.26 -5.03 118.70 122.35 3d5p s GLU 5 Ca 0.08 -0.35 0.07 0.00 0.36 0.00 0.00 54.97 55.13 3d5p s GLU 5 Cb -0.24 -3.49 -0.03 0.00 0.26 0.00 0.00 34.13 30.63 3d5p s GLU 5 CO -0.02 -0.06 -0.19 -1.12 -0.54 0.00 0.00 175.26 173.32 3d5p s SER 6 N 1.37 3.68 -0.03 -1.70 0.01 -1.26 -4.54 113.70 111.23 3d5p s SER 6 Ca 0.06 -0.41 0.01 0.00 1.31 0.00 0.00 55.95 56.92 3d5p s SER 6 Cb -0.15 -0.58 0.01 0.00 0.21 0.00 0.00 66.02 65.52 3d5p s SER 6 CO 0.06 0.28 -0.04 -0.54 0.41 0.00 0.00 173.24 173.40 3d5p s LYS 7 N -1.22 0.65 -0.15 12.44 1.02 -0.64 -5.01 119.74 126.83 3d5p s LYS 7 Ca 0.13 -0.12 -0.01 0.00 0.02 0.00 0.00 55.97 55.99 3d5p s LYS 7 Cb -0.10 -0.67 -0.01 0.00 -0.52 0.00 0.00 37.83 36.52 3d5p s LYS 7 CO 0.03 -0.02 -0.10 -0.46 -0.92 0.00 0.00 175.35 173.88 3d5p s TRP 8 N 0.58 2.86 -0.83 3.18 -0.11 -1.26 -1.02 118.94 122.35 3d5p s TRP 8 Ca -0.07 -0.71 -0.17 0.00 1.22 0.00 0.00 56.10 56.36 3d5p s TRP 8 Cb -0.11 -1.92 0.15 0.00 -1.50 0.00 0.00 33.47 30.10 3d5p s TRP 8 CO -0.00 -0.29 0.94 0.71 -4.62 0.00 0.00 176.95 173.68 3d5p s TYR 9 N 0.63 3.27 0.09 5.86 2.02 0.11 -5.00 117.35 124.34 3d5p s TYR 9 Ca -0.06 -1.46 -0.30 0.00 -0.37 0.00 0.00 57.07 54.88 3d5p s TYR 9 Cb -0.15 -4.10 -0.06 0.00 -0.40 0.00 0.00 41.96 37.26 3d5p s TYR 9 CO 0.03 -1.31 1.03 0.21 -1.57 0.00 0.00 175.55 173.93 3d5p s LYS 10 N 1.98 4.61 0.44 -0.62 2.20 -1.26 -3.36 119.74 123.73 3d5p s LYS 10 Ca 0.24 1.55 0.03 0.00 -0.36 0.00 0.00 55.97 57.42 3d5p s LYS 10 Cb -0.10 -3.37 0.00 0.00 -1.51 0.00 0.00 37.83 32.85 3d5p s LYS 10 CO -0.06 0.06 0.64 0.15 -0.36 0.00 0.00 175.35 175.78 3d5p s LYS 11 N 0.28 2.94 0.74 4.03 1.02 -1.25 -5.06 119.74 122.43 3d5p s LYS 11 Ca 0.50 -0.75 -0.15 0.00 0.02 0.00 0.00 55.97 55.59 3d5p s LYS 11 Cb -0.25 -2.62 0.03 0.00 -0.52 0.00 0.00 37.83 34.47 3d5p s LYS 11 CO 0.30 -0.29 1.11 -0.25 -0.92 0.00 0.00 175.35 175.30 3d5p n ASP 12 N -2.01 0.95 -4.78 2.83 8.00 -1.26 -4.07 116.55 116.20 3d5p n ASP 12 Ca 0.03 0.66 -0.32 0.00 0.71 0.00 0.00 54.79 55.88 3d5p n ASP 12 Cb 0.58 -1.47 0.07 0.00 -0.02 0.00 0.00 41.12 40.28 3d5p n ASP 12 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3d5p s GLY 13 N -1.77 1.85 0.26 0.44 0.00 -1.19 -1.17 107.32 105.73 3d5p s GLY 13 Ca 0.75 0.33 -0.30 0.00 0.00 0.00 0.00 44.72 45.50 3d5p s GLY 13 CO 0.49 0.67 1.20 0.00 0.00 0.00 0.00 173.10 175.46 3d5p s ALA 14 N -2.73 3.45 0.65 3.20 0.00 0.21 -4.67 121.76 121.88 3d5p s ALA 14 Ca 0.63 1.03 -0.13 0.00 0.00 0.00 0.00 51.96 53.48 3d5p s ALA 14 Cb -0.18 -3.41 -0.01 0.00 0.00 0.00 0.00 23.12 19.53 3d5p s ALA 14 CO 0.50 -0.38 1.07 -1.54 0.00 0.00 0.00 175.76 175.40 3d5p s SER 15 N -0.35 5.45 0.26 0.00 1.04 -1.26 -4.69 113.70 114.15 3d5p s SER 15 Ca 0.49 1.76 -0.02 0.00 0.48 0.00 0.00 55.95 58.66 3d5p s SER 15 Cb -0.35 -2.52 0.44 0.00 0.10 0.00 0.00 66.02 63.69 3d5p s SER 15 CO 0.42 -1.40 1.84 0.28 0.98 0.00 0.00 173.24 175.36 3d5p h SER 16 N -0.18 0.84 -0.78 7.02 0.02 -2.00 -2.23 113.55 116.23 3d5p h SER 16 Ca -0.45 0.04 -0.05 0.00 -0.84 0.00 0.00 61.79 60.48 3d5p h SER 16 Cb 1.22 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 63.59 3d5p h SER 16 CO 0.56 0.49 0.29 0.00 -1.14 0.00 0.00 176.83 177.04 3d5p h ALA 17 N 1.47 1.02 -0.30 3.77 0.00 -1.99 -1.92 119.26 121.31 3d5p h ALA 17 Ca 0.43 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 3d5p h ALA 17 Cb 0.34 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3d5p h ALA 17 CO -0.23 0.66 0.16 0.77 0.00 0.00 0.00 179.25 180.62 3d5p h SER 18 N 1.15 0.39 -0.38 0.00 0.02 -1.79 0.09 113.55 113.02 3d5p h SER 18 Ca 0.26 -0.10 -0.03 0.00 -0.84 0.00 0.00 61.79 61.08 3d5p h SER 18 Cb 0.24 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.67 3d5p h SER 18 CO -0.02 0.37 0.10 0.40 -1.14 0.00 0.00 176.83 176.55 3d5p h ILE 19 N 0.37 1.22 -0.78 3.27 1.08 -1.34 -2.46 117.51 118.87 3d5p h ILE 19 Ca 0.11 -0.74 -0.01 0.00 -0.39 0.00 0.00 64.86 63.83 3d5p h ILE 19 Cb 0.08 0.99 -0.04 0.00 -3.07 0.00 0.00 36.82 34.78 3d5p h ILE 19 CO -0.02 0.26 0.46 0.44 -0.69 0.00 0.00 178.15 178.60 3d5p h ASP 20 N 0.47 0.94 0.04 1.72 3.32 -1.14 -1.34 116.42 120.44 3d5p h ASP 20 Ca 0.12 -0.06 -0.11 0.00 0.02 0.00 0.00 57.03 57.00 3d5p h ASP 20 Cb 0.29 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 3d5p h ASP 20 CO -0.00 0.73 -0.36 -0.78 -1.72 0.00 0.00 179.24 177.11 3d5p h ASP 21 N 1.08 0.44 -0.07 6.45 3.58 -0.61 -0.57 116.42 126.72 3d5p h ASP 21 Ca 0.28 -0.18 -0.17 0.00 0.42 0.00 0.00 57.03 57.38 3d5p h ASP 21 Cb -0.03 -0.12 0.01 0.00 1.72 0.00 0.00 39.33 40.90 3d5p h ASP 21 CO -0.05 0.77 -0.62 -0.37 -2.88 0.00 0.00 179.24 176.09 3d5p h VAL 22 N 0.36 1.36 -0.50 2.25 -1.51 -0.98 -2.50 116.25 114.74 3d5p h VAL 22 Ca 0.04 -1.95 -0.02 0.00 -1.23 0.00 0.00 66.70 63.54 3d5p h VAL 22 Cb 0.80 2.28 -0.02 0.00 -2.13 0.00 0.00 31.29 32.22 3d5p h VAL 22 CO 0.06 0.59 0.22 -0.33 -1.23 0.00 0.00 177.57 176.88 3d5p h GLU 23 N 0.15 0.70 -0.40 5.19 5.08 -1.07 0.25 114.58 124.48 3d5p h GLU 23 Ca -0.06 -0.09 -0.07 0.00 -1.00 0.00 0.00 59.36 58.15 3d5p h GLU 23 Cb 1.28 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 3d5p h GLU 23 CO 0.13 0.56 -0.02 -0.22 -1.00 0.00 0.00 179.01 178.46 3d5p h LYS 24 N 0.70 0.72 -0.29 2.33 3.64 -1.11 0.01 116.57 122.57 3d5p h LYS 24 Ca 0.17 -0.24 -0.13 0.00 -1.27 0.00 0.00 60.65 59.18 3d5p h LYS 24 Cb 0.10 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 3d5p h LYS 24 CO -0.02 0.82 -0.36 -0.07 -2.27 0.00 0.00 179.45 177.55 3d5p h LEU 25 N 0.55 0.70 -0.85 5.20 3.38 -0.86 -2.52 115.31 120.91 3d5p h LEU 25 Ca 0.11 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.78 3d5p h LEU 25 Cb 0.51 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.06 3d5p h LEU 25 CO 0.02 1.00 0.00 0.18 0.09 0.00 0.00 178.44 179.73 3d5p n LEU 26 N -4.05 1.30 -4.00 1.67 4.32 -0.01 -4.92 117.00 111.31 3d5p n LEU 26 Ca -0.01 -0.49 -0.32 0.00 -0.02 0.00 0.00 56.01 55.17 3d5p n LEU 26 Cb 0.50 -0.04 -0.05 0.00 -1.62 0.00 0.00 43.42 42.21 3d5p n LEU 26 CO 0.46 0.25 -0.11 -3.20 -1.22 0.00 0.00 177.39 173.56 3d5p n ASN 27 N 0.05 -1.88 -3.24 -1.43 5.15 -0.05 -4.85 115.26 109.01 3d5p n ASN 27 Ca 0.18 -0.79 -0.07 0.00 -0.60 0.00 0.00 54.58 53.30 3d5p n ASN 27 Cb 0.30 -1.65 0.01 0.00 -0.53 0.00 0.00 39.78 37.91 3d5p n ASN 27 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 3d5p s THR 28 N -2.96 0.00 -0.14 -0.44 -1.32 -0.97 -5.04 115.64 104.77 3d5p s THR 28 Ca 0.62 -0.90 -0.11 0.00 -1.21 0.00 0.00 61.69 60.10 3d5p s THR 28 Cb -0.36 -2.66 -0.05 0.00 -1.51 0.00 0.00 72.50 67.93 3d5p s THR 28 CO 0.76 0.00 0.21 -0.89 -2.21 0.00 0.00 174.62 172.49 3d5p s THR 29 N -2.64 5.37 0.58 5.08 2.01 -1.26 -4.50 115.64 120.28 3d5p s THR 29 Ca 0.16 0.37 -0.19 0.00 0.31 0.00 0.00 61.69 62.34 3d5p s THR 29 Cb -0.05 -3.52 -0.04 0.00 0.01 0.00 0.00 72.50 68.91 3d5p s THR 29 CO 0.09 0.51 1.16 -0.76 -0.69 0.00 0.00 174.62 174.92 3d5p s LEU 30 N -0.29 3.67 0.33 4.42 1.43 -1.26 -4.90 118.68 122.07 3d5p s LEU 30 Ca 0.15 2.23 -0.28 0.00 -1.03 0.00 0.00 54.13 55.20 3d5p s LEU 30 Cb -0.13 -4.58 -0.13 0.00 0.03 0.00 0.00 46.19 41.38 3d5p s LEU 30 CO 0.04 -1.42 1.28 -2.65 0.23 0.00 0.00 176.35 173.83 3d5p n PRO 31 N -1.55 2.05 -0.23 1.29 -0.02 -1.26 -4.82 135.00 130.45 3d5p n PRO 31 Ca 0.12 0.72 -0.04 0.00 -2.02 0.00 0.00 63.50 62.28 3d5p n PRO 31 Cb 0.51 -2.29 0.06 0.00 -0.02 0.00 0.00 33.50 31.76 3d5p n PRO 31 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3d5p h LYS 32 N 2.69 0.80 -0.04 -0.52 3.11 -1.95 -1.60 116.57 119.06 3d5p h LYS 32 Ca -0.45 -0.05 -0.17 0.00 -2.81 0.00 0.00 60.65 57.17 3d5p h LYS 32 Cb 1.29 -0.18 -0.01 0.00 -1.00 0.00 0.00 32.23 32.33 3d5p h LYS 32 CO 0.64 0.53 -0.71 1.96 -2.81 0.00 0.00 179.45 179.05 3d5p h GLN 33 N 0.82 0.22 -0.31 1.90 4.20 -1.99 -0.82 115.11 119.13 3d5p h GLN 33 Ca 0.26 -0.18 -0.03 0.00 0.06 0.00 0.00 58.65 58.75 3d5p h GLN 33 Cb -0.01 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.79 3d5p h GLN 33 CO -0.09 0.84 0.07 -0.92 -0.67 0.00 0.00 178.83 178.06 3d5p h TYR 34 N 0.15 0.53 -0.58 2.96 3.20 -1.84 -1.64 116.97 119.75 3d5p h TYR 34 Ca -0.02 -0.07 -0.01 0.00 3.14 0.00 0.00 58.73 61.77 3d5p h TYR 34 Cb 1.27 -0.15 -0.03 0.00 1.54 0.00 0.00 36.73 39.36 3d5p h TYR 34 CO 0.02 0.56 0.32 0.87 -1.64 0.00 0.00 178.16 178.30 3d5p h LYS 35 N 0.34 0.81 -0.99 1.82 1.57 -1.11 -0.97 116.57 118.04 3d5p h LYS 35 Ca 0.10 -0.09 0.02 0.00 -1.87 0.00 0.00 60.65 58.80 3d5p h LYS 35 Cb 0.30 -0.16 -0.05 0.00 0.08 0.00 0.00 32.23 32.40 3d5p h LYS 35 CO 0.00 0.62 0.65 0.66 -0.57 0.00 0.00 179.45 180.81 3d5p h SER 36 N 0.79 1.12 -0.20 0.86 4.64 -0.97 0.16 113.55 119.94 3d5p h SER 36 Ca 0.21 -0.03 -0.02 0.00 -0.47 0.00 0.00 61.79 61.48 3d5p h SER 36 Cb 0.04 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 61.85 3d5p h SER 36 CO -0.03 0.80 0.06 0.15 -0.87 0.00 0.00 176.83 176.94 3d5p h PHE 37 N 1.32 0.33 -0.96 4.77 3.57 -0.86 -2.81 116.94 122.30 3d5p h PHE 37 Ca 0.37 -0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.87 3d5p h PHE 37 Cb -0.12 -0.09 -0.05 0.00 2.79 0.00 0.00 35.95 38.47 3d5p h PHE 37 CO -0.00 0.40 0.63 -0.07 -2.23 0.00 0.00 178.31 177.04 3d5p h LEU 38 N 0.16 1.05 -2.28 0.59 3.38 -0.54 0.19 115.31 117.86 3d5p h LEU 38 Ca 0.07 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 3d5p h LEU 38 Cb 0.23 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 3d5p h LEU 38 CO -0.00 0.73 -0.02 -0.07 0.09 0.00 0.00 178.44 179.16 3d5p h LEU 39 N 1.22 0.00 0.00 1.67 3.38 -0.82 0.67 115.31 121.43 3d5p h LEU 39 Ca 0.37 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.25 3d5p h LEU 39 Cb -0.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3d5p h LEU 39 CO -0.11 0.02 -0.56 -0.25 0.09 0.00 0.00 178.44 177.64 3d5p h TRP 40 N 0.00 0.00 -3.10 1.13 7.01 -0.91 -3.35 115.95 116.73 3d5p h TRP 40 Ca -0.00 0.00 -0.50 0.00 2.11 0.00 0.00 58.89 60.50 3d5p h TRP 40 Cb 0.05 0.00 -0.40 0.00 -2.10 0.00 0.00 29.16 26.71 3d5p h TRP 40 CO 0.00 1.05 -0.76 0.45 -2.79 0.00 0.00 178.44 176.39 3d5p s SER 41 N -6.39 2.81 -1.33 2.65 0.15 0.52 -3.20 113.70 108.91 3d5p s SER 41 Ca -0.21 -0.84 -0.17 0.00 0.70 0.00 0.00 55.95 55.43 3d5p s SER 41 Cb 0.01 -0.42 0.03 0.00 -1.71 0.00 0.00 66.02 63.94 3d5p s SER 41 CO 0.56 -0.35 1.98 -3.20 1.20 0.00 0.00 173.24 173.43 3d5p n ASN 42 N 5.17 4.21 0.00 5.45 5.15 -0.31 -4.00 115.26 130.93 3d5p n ASN 42 Ca -0.07 -2.86 0.00 0.00 -0.60 0.00 0.00 54.58 51.05 3d5p n ASN 42 Cb 0.47 -1.67 0.00 0.00 -0.53 0.00 0.00 39.78 38.05 3d5p n ASN 42 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3d5p n GLY 43 N 4.79 -2.28 0.00 8.20 0.00 -1.25 -4.14 105.19 110.51 3d5p n GLY 43 Ca 0.50 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.92 3d5p n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d5p n GLY 44 N -0.29 1.01 3.31 -0.02 0.00 -0.64 -3.91 105.19 104.65 3d5p n GLY 44 Ca 0.00 -1.92 -0.10 0.00 0.00 0.00 0.00 46.02 43.99 3d5p n GLY 44 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3d5p s GLU 45 N -1.70 1.04 0.07 1.61 1.03 -1.21 -0.69 118.70 118.84 3d5p s GLU 45 Ca 0.00 -0.70 -0.13 0.00 0.03 0.00 0.00 54.97 54.17 3d5p s GLU 45 Cb 0.00 0.46 0.04 0.00 -0.80 0.00 0.00 34.13 33.83 3d5p s GLU 45 CO 0.00 -0.40 0.61 0.41 -1.33 0.00 0.00 175.26 174.55 3d5p n GLY 46 N -0.16 0.76 2.88 -3.83 0.00 -0.44 -0.71 105.19 103.68 3d5p n GLY 46 Ca -0.16 -1.02 -0.30 0.00 0.00 0.00 0.00 46.02 44.54 3d5p n GLY 46 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3d5p s LYS 47 N -2.02 1.23 -0.38 1.61 2.20 -0.19 -1.52 119.74 120.67 3d5p s LYS 47 Ca 0.14 -1.18 -0.11 0.00 -0.36 0.00 0.00 55.97 54.46 3d5p s LYS 47 Cb -0.01 -2.50 0.03 0.00 -1.51 0.00 0.00 37.83 33.84 3d5p s LYS 47 CO 0.02 -0.80 0.21 -0.51 -0.36 0.00 0.00 175.35 173.91 3d5p s LEU 48 N 1.39 4.75 0.00 5.43 1.43 -0.05 -1.62 118.68 130.01 3d5p s LEU 48 Ca 0.03 -1.03 0.00 0.00 -1.03 0.00 0.00 54.13 52.10 3d5p s LEU 48 Cb -0.18 -2.02 0.00 0.00 0.03 0.00 0.00 46.19 44.02 3d5p s LEU 48 CO -0.13 -0.40 0.00 0.61 0.23 0.00 0.00 176.35 176.66 3d5p n GLY 49 N 4.99 3.59 0.34 -3.19 0.00 -1.24 -1.09 105.19 108.59 3d5p n GLY 49 Ca -0.12 -0.03 0.13 0.00 0.00 0.00 0.00 46.02 46.01 3d5p n GLY 49 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3d5p n ASP 50 N 5.13 1.04 -4.53 1.61 8.00 -1.26 -4.89 116.55 121.65 3d5p n ASP 50 Ca 0.00 -1.41 -0.39 0.00 0.71 0.00 0.00 54.79 53.69 3d5p n ASP 50 Cb 0.00 -0.02 -0.11 0.00 -0.02 0.00 0.00 41.12 40.97 3d5p n ASP 50 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 3d5p s ASN 51 N -1.88 5.92 -0.11 -2.24 0.01 -0.25 -4.99 114.94 111.40 3d5p s ASN 51 Ca 0.38 -0.31 -0.28 0.00 -0.71 0.00 0.00 52.86 51.94 3d5p s ASN 51 Cb 0.20 -2.10 -0.01 0.00 0.41 0.00 0.00 41.25 39.74 3d5p s ASN 51 CO 0.32 -0.16 0.96 -0.31 -1.51 0.00 0.00 177.10 176.39 3d5p s TYR 52 N 1.71 3.50 -0.04 2.20 2.02 -1.26 -0.87 117.35 124.61 3d5p s TYR 52 Ca 0.06 1.51 0.01 0.00 -0.37 0.00 0.00 57.07 58.29 3d5p s TYR 52 Cb -0.17 -3.13 0.02 0.00 -0.40 0.00 0.00 41.96 38.28 3d5p s TYR 52 CO 0.10 -0.21 -0.06 0.42 -1.57 0.00 0.00 175.55 174.23 3d5p s ILE 53 N 1.95 0.64 -0.21 2.71 1.01 -0.58 -4.62 121.20 122.10 3d5p s ILE 53 Ca 0.46 -0.19 0.02 0.00 0.00 0.00 0.00 60.65 60.93 3d5p s ILE 53 Cb -0.18 -0.63 0.04 0.00 0.01 0.00 0.00 42.46 41.70 3d5p s ILE 53 CO 0.17 0.24 -0.15 -0.31 0.00 0.00 0.00 174.94 174.89 3d5p s TYR 54 N 0.79 2.93 -0.11 3.97 1.51 -1.26 -1.33 117.35 123.86 3d5p s TYR 54 Ca -0.12 -1.91 -0.02 0.00 -1.01 0.00 0.00 57.07 54.01 3d5p s TYR 54 Cb -0.14 -1.89 -0.03 0.00 -0.11 0.00 0.00 41.96 39.79 3d5p s TYR 54 CO 0.01 -0.83 -0.03 0.42 -1.11 0.00 0.00 175.55 174.01 3d5p s ILE 55 N 1.23 4.01 0.30 2.71 1.01 0.13 -4.27 121.20 126.31 3d5p s ILE 55 Ca -0.01 -0.35 -0.19 0.00 0.00 0.00 0.00 60.65 60.10 3d5p s ILE 55 Cb -0.16 -2.70 -0.09 0.00 0.01 0.00 0.00 42.46 39.52 3d5p s ILE 55 CO -0.09 0.56 0.78 0.26 0.00 0.00 0.00 174.94 176.45 3d5p s TRP 56 N -0.42 3.51 0.53 3.97 0.51 -0.68 -1.62 118.94 124.74 3d5p s TRP 56 Ca 0.07 1.39 -0.22 0.00 -2.12 0.00 0.00 56.10 55.22 3d5p s TRP 56 Cb -0.12 -2.65 -0.05 0.00 -0.81 0.00 0.00 33.47 29.84 3d5p s TRP 56 CO 0.02 0.18 1.32 0.00 -0.51 0.00 0.00 176.95 177.96 3d5p s ALA 57 N -1.79 2.87 0.43 0.98 0.00 -1.26 -3.90 121.76 119.08 3d5p s ALA 57 Ca 0.50 1.26 0.10 0.00 0.00 0.00 0.00 51.96 53.83 3d5p s ALA 57 Cb -0.13 -3.53 0.92 0.00 0.00 0.00 0.00 23.12 20.38 3d5p s ALA 57 CO 0.19 -1.23 2.01 0.97 0.00 0.00 0.00 175.76 177.70 3d5p h ILE 58 N 1.56 1.11 0.00 0.00 6.09 -1.97 -1.02 117.51 123.29 3d5p h ILE 58 Ca -0.51 -0.43 0.00 0.00 -1.37 0.00 0.00 64.86 62.55 3d5p h ILE 58 Cb 1.29 0.97 0.00 0.00 0.47 0.00 0.00 36.82 39.55 3d5p h ILE 58 CO 0.58 0.15 0.00 -0.33 -3.07 0.00 0.00 178.15 175.47 3d5p h GLU 59 N 0.26 0.00 0.00 2.19 3.07 -1.90 -2.89 114.58 115.31 3d5p h GLU 59 Ca 0.06 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.92 3d5p h GLU 59 Cb 0.17 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.08 3d5p h GLU 59 CO 0.00 0.00 -0.96 -0.25 -1.40 0.00 0.00 179.01 176.40 3d5p n ASP 60 N -2.52 0.90 -0.18 1.42 8.00 -0.40 -4.68 116.55 119.09 3d5p n ASP 60 Ca -0.01 -0.64 -0.05 0.00 0.71 0.00 0.00 54.79 54.80 3d5p n ASP 60 Cb 0.12 1.18 0.04 0.00 -0.02 0.00 0.00 41.12 42.44 3d5p n ASP 60 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 3d5p h VAL 61 N 0.00 1.04 -0.35 2.53 2.07 -1.36 -0.82 116.25 119.35 3d5p h VAL 61 Ca 0.00 -0.21 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 3d5p h VAL 61 Cb 0.45 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 3d5p h VAL 61 CO 0.00 0.11 0.15 0.40 0.02 0.00 0.00 177.57 178.25 3d5p h ILE 62 N 0.61 1.18 -0.54 4.57 2.04 -1.83 -0.74 117.51 122.78 3d5p h ILE 62 Ca 0.21 -0.53 -0.03 0.00 1.00 0.00 0.00 64.86 65.52 3d5p h ILE 62 Cb 0.04 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 3d5p h ILE 62 CO -0.11 0.19 0.24 0.00 0.00 0.00 0.00 178.15 178.47 3d5p h ALA 63 N 1.00 0.70 -0.53 1.87 0.00 -1.78 -0.99 119.26 119.54 3d5p h ALA 63 Ca 0.12 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3d5p h ALA 63 Cb 0.16 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3d5p h ALA 63 CO -0.01 0.30 0.25 1.88 0.00 0.00 0.00 179.25 181.66 3d5p h TYR 64 N 0.74 0.78 -0.93 0.00 0.05 -0.94 -1.19 116.97 115.47 3d5p h TYR 64 Ca 0.18 -0.04 -0.01 0.00 0.05 0.00 0.00 58.73 58.92 3d5p h TYR 64 Cb 0.17 -0.24 -0.05 0.00 1.01 0.00 0.00 36.73 37.62 3d5p h TYR 64 CO 0.00 0.61 0.56 -0.91 -1.05 0.00 0.00 178.16 177.38 3d5p h ASN 65 N 0.72 1.12 -0.52 3.88 2.35 -0.86 -0.72 115.58 121.55 3d5p h ASN 65 Ca 0.18 -0.07 -0.06 0.00 -0.55 0.00 0.00 56.30 55.80 3d5p h ASN 65 Cb 0.13 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.20 3d5p h ASN 65 CO -0.02 0.86 0.09 -0.74 -1.65 0.00 0.00 177.43 175.97 3d5p h HIS 66 N 1.29 0.92 -0.71 1.19 2.76 -1.03 -1.64 115.15 117.92 3d5p h HIS 66 Ca 0.34 -0.13 -0.04 0.00 -2.20 0.00 0.00 60.37 58.34 3d5p h HIS 66 Cb -0.06 -0.25 -0.03 0.00 1.55 0.00 0.00 27.41 28.62 3d5p h HIS 66 CO 0.00 0.82 0.30 0.22 -1.30 0.00 0.00 177.93 177.97 3d5p h ASP 67 N 0.75 0.97 0.69 3.26 3.58 -0.70 -2.59 116.42 122.38 3d5p h ASP 67 Ca 0.16 -0.16 0.00 0.00 0.42 0.00 0.00 57.03 57.44 3d5p h ASP 67 Cb 0.40 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 41.20 3d5p h ASP 67 CO 0.01 0.87 -0.18 -1.22 -2.88 0.00 0.00 179.24 175.84 3d5p n TYR 68 N -4.37 0.00 -2.43 0.28 4.01 -0.32 -4.94 117.16 109.38 3d5p n TYR 68 Ca 0.06 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.67 3d5p n TYR 68 Cb 0.17 -0.35 0.01 0.00 -0.31 0.00 0.00 39.34 38.86 3d5p n TYR 68 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3d5p n GLY 69 N 1.45 -0.09 0.06 2.72 0.00 -0.67 -4.95 105.19 103.70 3d5p n GLY 69 Ca 0.08 -0.32 -0.12 0.00 0.00 0.00 0.00 46.02 45.66 3d5p n GLY 69 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3d5p h ILE 70 N -0.34 0.97 -0.07 -0.61 1.08 -1.69 -2.11 117.51 114.73 3d5p h ILE 70 Ca -0.30 -0.03 -0.16 0.00 -0.39 0.00 0.00 64.86 63.98 3d5p h ILE 70 Cb 1.22 0.99 -0.01 0.00 -3.07 0.00 0.00 36.82 35.94 3d5p h ILE 70 CO 0.34 0.01 -0.64 1.56 -0.69 0.00 0.00 178.15 178.73 3d5p h GLN 71 N -0.07 0.28 -0.65 2.37 7.50 -1.80 -0.15 115.11 122.59 3d5p h GLN 71 Ca -0.01 -0.20 0.05 0.00 0.50 0.00 0.00 58.65 58.99 3d5p h GLN 71 Cb 0.05 0.03 -0.05 0.00 0.05 0.00 0.00 27.48 27.57 3d5p h GLN 71 CO 0.01 0.82 0.37 -0.22 -1.50 0.00 0.00 178.83 178.32 3d5p h LYS 72 N 0.20 0.68 0.00 1.46 3.64 -1.85 -3.04 116.57 117.66 3d5p h LYS 72 Ca -0.01 -0.04 -0.12 0.00 -1.27 0.00 0.00 60.65 59.21 3d5p h LYS 72 Cb 1.17 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.81 3d5p h LYS 72 CO 0.10 0.45 -1.53 0.66 -2.27 0.00 0.00 179.45 176.86 3d5p n TYR 73 N -4.77 0.69 0.00 1.91 4.01 -0.81 -4.87 117.16 113.32 3d5p n TYR 73 Ca 0.07 0.22 0.00 0.00 -0.16 0.00 0.00 57.90 58.03 3d5p n TYR 73 Cb 0.14 -0.94 0.00 0.00 -0.31 0.00 0.00 39.34 38.23 3d5p n TYR 73 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3d5p n LEU 74 N -2.71 0.00 -4.02 7.72 4.77 -0.08 -3.98 117.00 118.71 3d5p n LEU 74 Ca -0.09 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.79 3d5p n LEU 74 Cb 0.76 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.78 3d5p n LEU 74 CO 0.43 0.00 0.08 -1.58 -1.33 0.00 0.00 177.39 174.99 3d5p s GLN 75 N 2.91 1.42 0.60 3.23 0.74 -1.19 -4.93 119.66 122.45 3d5p s GLN 75 Ca 0.00 -1.29 0.39 0.00 0.05 0.00 0.00 55.36 54.50 3d5p s GLN 75 Cb 0.00 0.42 1.86 0.00 1.10 0.00 0.00 33.01 36.39 3d5p s GLN 75 CO 0.00 -0.56 2.16 1.57 -0.55 0.00 0.00 175.29 177.90 3d5p h LYS 76 N 2.36 0.00 0.00 1.67 2.10 -1.94 -2.15 116.57 118.61 3d5p h LYS 76 Ca -0.29 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.36 3d5p h LYS 76 Cb 1.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 3d5p h LYS 76 CO 0.40 0.00 0.00 0.93 -2.00 0.00 0.00 179.45 178.78 3d5p h GLU 77 N 0.00 0.00 -5.44 0.07 3.07 -1.95 -3.45 114.58 106.89 3d5p h GLU 77 Ca 0.00 0.00 -0.59 0.00 -0.50 0.00 0.00 59.36 58.27 3d5p h GLU 77 Cb 0.27 0.00 -0.11 0.00 -0.84 0.00 0.00 28.75 28.07 3d5p h GLU 77 CO 0.00 0.00 -0.33 0.71 -1.40 0.00 0.00 179.01 177.99 3d5p s TYR 78 N -3.24 3.43 -0.06 4.33 2.02 -0.81 -0.72 117.35 122.30 3d5p s TYR 78 Ca 0.07 0.55 0.00 0.00 -0.37 0.00 0.00 57.07 57.33 3d5p s TYR 78 Cb 0.08 -2.35 0.02 0.00 -0.40 0.00 0.00 41.96 39.31 3d5p s TYR 78 CO 0.61 0.19 -0.04 -1.58 -1.57 0.00 0.00 175.55 173.16 3d5p s TRP 79 N 0.64 0.87 0.27 2.71 0.52 -0.18 -4.55 118.94 119.22 3d5p s TRP 79 Ca 0.16 -0.28 -0.29 0.00 0.02 0.00 0.00 56.10 55.70 3d5p s TRP 79 Cb -0.13 -0.80 -0.09 0.00 -1.15 0.00 0.00 33.47 31.30 3d5p s TRP 79 CO 0.04 -0.27 1.20 0.00 0.02 0.00 0.00 176.95 177.94 3d5p s ALA 80 N 1.25 3.45 0.00 0.98 0.00 -1.26 -0.60 121.76 125.58 3d5p s ALA 80 Ca -0.06 1.03 0.00 0.00 0.00 0.00 0.00 51.96 52.94 3d5p s ALA 80 Cb -0.14 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.58 3d5p s ALA 80 CO -0.02 -0.37 0.12 1.97 0.00 0.00 0.00 175.76 177.46 3d5p n PHE 81 N 1.50 0.00 -3.00 0.00 1.16 -0.21 -4.84 117.46 112.05 3d5p n PHE 81 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.59 3d5p n PHE 81 Cb 0.44 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.31 3d5p n PHE 81 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 3d5p n GLY 82 N 0.59 -0.93 2.77 4.97 0.00 -1.20 -1.69 105.19 109.70 3d5p n GLY 82 Ca 0.00 -0.71 -0.16 0.00 0.00 0.00 0.00 46.02 45.15 3d5p n GLY 82 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3d5p s ASP 84 N -4.00 1.01 1.90 1.61 2.15 0.59 -1.00 116.67 118.93 3d5p s ASP 84 Ca 0.00 -1.62 0.00 0.00 0.43 0.00 0.00 52.55 51.36 3d5p s ASP 84 Cb 0.00 0.61 0.00 0.00 -0.30 0.00 0.00 42.92 43.23 3d5p s ASP 84 CO 0.00 -0.25 0.00 0.61 -0.17 0.00 0.00 175.17 175.36 3d5p n GLY 85 N 4.16 4.01 0.26 2.66 0.00 -1.26 -1.77 105.19 113.25 3d5p n GLY 85 Ca 0.12 0.12 0.13 0.00 0.00 0.00 0.00 46.02 46.39 3d5p n GLY 85 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3d5p h ASP 86 N 0.00 0.00 -3.33 1.61 3.32 -2.02 -3.44 116.42 112.56 3d5p h ASP 86 Ca 0.00 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.48 3d5p h ASP 86 Cb 0.00 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.49 3d5p h ASP 86 CO 0.00 0.12 -0.03 -0.63 -1.72 0.00 0.00 179.24 176.98 3d5p s ILE 87 N -4.03 5.08 -0.06 0.35 -1.09 -0.73 -0.50 121.20 120.21 3d5p s ILE 87 Ca -0.02 1.20 -0.03 0.00 -2.23 0.00 0.00 60.65 59.57 3d5p s ILE 87 Cb 0.12 -3.92 -0.04 0.00 -1.58 0.00 0.00 42.46 37.04 3d5p s ILE 87 CO 0.58 0.32 0.08 -0.83 -1.23 0.00 0.00 174.94 173.86 3d5p s GLY 88 N 0.51 2.02 -0.22 6.18 0.00 0.52 -0.30 107.32 116.03 3d5p s GLY 88 Ca 0.31 -0.78 -0.08 0.00 0.00 0.00 0.00 44.72 44.17 3d5p s GLY 88 CO 0.15 -0.58 0.10 -0.19 0.00 0.00 0.00 173.10 172.57 3d5p s TYR 89 N -1.06 3.21 0.07 1.90 2.02 -0.17 -1.04 117.35 122.27 3d5p s TYR 89 Ca 0.18 -0.02 0.07 0.00 -0.37 0.00 0.00 57.07 56.94 3d5p s TYR 89 Cb -0.12 -2.19 -0.03 0.00 -0.40 0.00 0.00 41.96 39.22 3d5p s TYR 89 CO 0.08 -0.04 -0.20 0.42 -1.57 0.00 0.00 175.55 174.24 3d5p s ILE 90 N 1.00 1.63 0.19 2.71 -1.09 -0.09 -1.05 121.20 124.50 3d5p s ILE 90 Ca 0.05 -1.33 0.10 0.00 -2.23 0.00 0.00 60.65 57.23 3d5p s ILE 90 Cb -0.14 -1.46 -0.04 0.00 -1.58 0.00 0.00 42.46 39.24 3d5p s ILE 90 CO 0.03 0.07 -0.20 -1.48 -1.23 0.00 0.00 174.94 172.14 3d5p s LEU 91 N -1.50 2.46 -0.21 2.97 0.05 0.23 -0.61 118.68 122.08 3d5p s LEU 91 Ca 0.06 -0.89 -0.13 0.00 0.05 0.00 0.00 54.13 53.22 3d5p s LEU 91 Cb -0.09 -0.93 -0.05 0.00 -2.05 0.00 0.00 46.19 43.08 3d5p s LEU 91 CO 0.03 0.00 0.27 -2.28 -0.55 0.00 0.00 176.35 173.82 3d5p s HIS 92 N -2.07 3.37 0.35 3.48 5.65 0.23 -1.01 115.29 125.28 3d5p s HIS 92 Ca 0.19 0.44 0.22 0.00 0.25 0.00 0.00 55.06 56.16 3d5p s HIS 92 Cb -0.06 -2.37 1.14 0.00 -1.18 0.00 0.00 32.58 30.11 3d5p s HIS 92 CO 0.08 0.08 1.96 -0.07 -0.65 0.00 0.00 174.74 176.14 3d5p h LEU 93 N 7.38 0.00 0.00 8.88 3.38 -1.27 -1.21 115.31 132.47 3d5p h LEU 93 Ca -0.38 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.37 3d5p h LEU 93 Cb 1.16 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.88 3d5p h LEU 93 CO 0.70 0.21 -1.26 -0.24 0.09 0.00 0.00 178.44 177.94 3d5p n SER 94 N -3.75 1.86 -0.81 -0.43 2.88 -1.26 -4.38 113.62 107.73 3d5p n SER 94 Ca -0.02 0.44 0.10 0.00 -1.33 0.00 0.00 58.87 58.06 3d5p n SER 94 Cb 0.32 -0.95 0.09 0.00 -0.75 0.00 0.00 64.21 62.91 3d5p n SER 94 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 3d5p n ASP 95 N -4.44 2.68 0.00 -3.46 5.75 -1.24 -4.97 116.55 110.87 3d5p n ASP 95 Ca -0.31 -1.84 0.00 0.00 -0.01 0.00 0.00 54.79 52.63 3d5p n ASP 95 Cb 0.66 -0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.74 3d5p n ASP 95 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 3d5p n ASN 96 N 1.13 0.00 -4.73 -1.12 3.02 -0.46 -4.88 115.26 108.23 3d5p n ASN 96 Ca 0.12 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.31 3d5p n ASN 96 Cb 0.50 -0.37 0.08 0.00 -0.61 0.00 0.00 39.78 39.38 3d5p n ASN 96 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3d5p s SER 97 N -3.07 4.45 -0.05 6.41 1.04 -1.22 -3.76 113.70 117.50 3d5p s SER 97 Ca 0.00 2.50 0.06 0.00 0.48 0.00 0.00 55.95 59.00 3d5p s SER 97 Cb 0.00 -2.61 -0.01 0.00 0.10 0.00 0.00 66.02 63.50 3d5p s SER 97 CO 0.00 -2.10 -0.24 -0.63 0.98 0.00 0.00 173.24 171.24 3d5p s ILE 98 N -1.65 1.99 0.08 -1.02 -1.09 0.13 -0.60 121.20 119.03 3d5p s ILE 98 Ca 0.79 -1.04 0.02 0.00 -2.23 0.00 0.00 60.65 58.19 3d5p s ILE 98 Cb -0.34 -1.67 -0.04 0.00 -1.58 0.00 0.00 42.46 38.84 3d5p s ILE 98 CO 0.42 0.56 -0.07 -0.31 -1.23 0.00 0.00 174.94 174.30 3d5p s TYR 99 N -0.25 0.80 -0.06 3.97 1.51 0.22 -0.73 117.35 122.81 3d5p s TYR 99 Ca -0.00 -0.77 -0.01 0.00 -1.01 0.00 0.00 57.07 55.27 3d5p s TYR 99 Cb -0.13 -0.47 -0.03 0.00 -0.11 0.00 0.00 41.96 41.22 3d5p s TYR 99 CO 0.02 -0.13 0.03 1.03 -1.11 0.00 0.00 175.55 175.39 3d5p s ARG 100 N -3.03 3.00 0.07 -0.62 0.52 0.02 -0.92 118.95 117.99 3d5p s ARG 100 Ca 0.04 -0.43 0.01 0.00 -0.52 0.00 0.00 55.73 54.83 3d5p s ARG 100 Cb -0.00 -2.82 -0.04 0.00 0.52 0.00 0.00 34.95 32.62 3d5p s ARG 100 CO -0.03 0.69 -0.05 0.14 0.02 0.00 0.00 175.30 176.07 3d5p s VAL 101 N -0.98 0.47 -0.42 3.52 -7.23 -0.21 -1.12 120.40 114.43 3d5p s VAL 101 Ca 0.16 -1.69 -0.23 0.00 -1.81 0.00 0.00 61.98 58.42 3d5p s VAL 101 Cb -0.12 -1.36 0.02 0.00 0.56 0.00 0.00 36.38 35.49 3d5p s VAL 101 CO 0.06 -0.81 0.75 -0.62 -0.31 0.00 0.00 175.10 174.17 3d5p s ASP 102 N -2.66 6.44 0.64 4.85 -1.08 -1.26 -0.35 116.67 123.24 3d5p s ASP 102 Ca 0.05 0.01 0.43 0.00 -0.52 0.00 0.00 52.55 52.52 3d5p s ASP 102 Cb 0.03 -2.37 2.30 0.00 -1.46 0.00 0.00 42.92 41.41 3d5p s ASP 102 CO -0.05 -0.82 2.31 -0.07 0.52 0.00 0.00 175.17 177.05 3d5p h LEU 103 N 9.91 0.00 -1.27 -1.34 3.38 -1.13 -0.17 115.31 124.69 3d5p h LEU 103 Ca -0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.72 3d5p h LEU 103 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 3d5p h LEU 103 CO 0.93 0.00 -0.08 0.61 0.09 0.00 0.00 178.44 179.99 3d5p n GLY 104 N -1.03 0.31 2.47 0.83 0.00 -1.26 -4.38 105.19 102.13 3d5p n GLY 104 Ca -0.03 -0.55 -0.14 0.00 0.00 0.00 0.00 46.02 45.30 3d5p n GLY 104 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3d5p n ASP 105 N 0.50 -1.03 -4.71 1.61 2.03 -0.09 -5.12 116.55 109.73 3d5p n ASP 105 Ca 0.15 -3.23 -0.42 0.00 0.52 0.00 0.00 54.79 51.81 3d5p n ASP 105 Cb 0.46 0.67 -0.03 0.00 -0.72 0.00 0.00 41.12 41.50 3d5p n ASP 105 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3d5p s LEU 106 N -1.82 4.38 -0.29 -2.67 1.43 -1.13 -4.60 118.68 113.98 3d5p s LEU 106 Ca 0.32 1.94 -0.11 0.00 -1.03 0.00 0.00 54.13 55.25 3d5p s LEU 106 Cb 0.27 -3.58 0.11 0.00 0.03 0.00 0.00 46.19 43.03 3d5p s LEU 106 CO -0.11 -0.41 0.65 -0.62 0.23 0.00 0.00 176.35 176.09 3d5p s ASP 107 N 0.99 -1.05 0.48 2.29 -1.08 -1.26 -4.94 116.67 112.10 3d5p s ASP 107 Ca 0.57 1.53 0.20 0.00 -0.52 0.00 0.00 52.55 54.33 3d5p s ASP 107 Cb -0.28 2.01 1.23 0.00 -1.46 0.00 0.00 42.92 44.42 3d5p s ASP 107 CO 0.29 -0.23 1.97 -0.29 0.52 0.00 0.00 175.17 177.44 3d5p h ILE 108 N 5.75 0.79 0.00 4.11 6.09 -1.92 -0.44 117.51 131.89 3d5p h ILE 108 Ca -0.21 -0.07 0.00 0.00 -1.37 0.00 0.00 64.86 63.21 3d5p h ILE 108 Cb 1.13 0.58 0.00 0.00 0.47 0.00 0.00 36.82 39.00 3d5p h ILE 108 CO 0.12 0.04 0.00 0.35 -3.07 0.00 0.00 178.15 175.58 3d5p n THR 109 N -4.43 0.38 0.32 2.19 -2.24 -1.26 -3.43 114.28 105.81 3d5p n THR 109 Ca 0.11 -0.01 0.04 0.00 -2.27 0.00 0.00 64.05 61.91 3d5p n THR 109 Cb 0.53 -0.66 0.01 0.00 -2.10 0.00 0.00 70.33 68.12 3d5p n THR 109 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3d5p n SER 110 N -1.75 1.29 -4.76 3.42 3.41 -0.19 -5.00 113.62 110.03 3d5p n SER 110 Ca 0.06 -1.14 -0.41 0.00 -0.26 0.00 0.00 58.87 57.11 3d5p n SER 110 Cb 0.33 0.27 -0.01 0.00 -0.26 0.00 0.00 64.21 64.54 3d5p n SER 110 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 3d5p s ILE 111 N -0.92 2.08 -0.35 -1.33 -4.36 -1.11 -4.92 121.20 110.29 3d5p s ILE 111 Ca 0.07 0.07 -0.09 0.00 -0.26 0.00 0.00 60.65 60.44 3d5p s ILE 111 Cb 0.06 -3.04 0.02 0.00 1.25 0.00 0.00 42.46 40.75 3d5p s ILE 111 CO 0.15 0.01 0.16 -0.75 0.24 0.00 0.00 174.94 174.75 3d5p s LYS 112 N -1.07 2.90 0.16 0.37 2.36 -0.28 -4.96 119.74 119.22 3d5p s LYS 112 Ca 0.59 -1.01 -0.31 0.00 -2.55 0.00 0.00 55.97 52.69 3d5p s LYS 112 Cb -0.47 -3.60 -0.10 0.00 -1.05 0.00 0.00 37.83 32.61 3d5p s LYS 112 CO 0.53 -0.61 1.61 -0.47 1.55 0.00 0.00 175.35 177.96 3d5p s TYR 113 N 1.52 2.93 0.00 4.03 5.04 -1.26 -0.80 117.35 128.81 3d5p s TYR 113 Ca 0.02 0.53 0.00 0.00 -2.44 0.00 0.00 57.07 55.18 3d5p s TYR 113 Cb -0.19 -3.97 0.00 0.00 0.35 0.00 0.00 41.96 38.16 3d5p s TYR 113 CO 0.05 -3.64 0.00 0.44 -1.34 0.00 0.00 175.55 171.06 3d5p n ILE 114 N 4.09 0.00 -3.55 3.14 -5.35 0.09 -4.93 119.36 112.85 3d5p n ILE 114 Ca 0.14 0.00 -0.13 0.00 -0.27 0.00 0.00 62.75 62.49 3d5p n ILE 114 Cb 0.38 -0.04 -0.05 0.00 -1.74 0.00 0.00 39.64 38.19 3d5p n ILE 114 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3d5p s ALA 115 N -1.63 -1.86 -0.78 -1.28 0.00 -1.08 -4.90 121.76 110.22 3d5p s ALA 115 Ca 0.00 1.45 0.26 0.00 0.00 0.00 0.00 51.96 53.67 3d5p s ALA 115 Cb 0.00 -0.37 0.93 0.00 0.00 0.00 0.00 23.12 23.68 3d5p s ALA 115 CO 0.00 -0.35 1.79 -0.35 0.00 0.00 0.00 175.76 176.85 3d5p n PRO 116 N 0.75 0.17 -3.83 0.00 -0.04 -1.26 -0.69 135.00 130.10 3d5p n PRO 116 Ca -0.14 0.19 -0.06 0.00 -0.04 0.00 0.00 63.50 63.45 3d5p n PRO 116 Cb 0.58 -1.72 -0.01 0.00 -0.04 0.00 0.00 33.50 32.31 3d5p n PRO 116 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3d5p s SER 117 N -4.03 -0.19 0.09 3.54 1.04 -1.25 -3.41 113.70 109.49 3d5p s SER 117 Ca 0.10 -0.64 -0.20 0.00 0.48 0.00 0.00 55.95 55.69 3d5p s SER 117 Cb 0.13 0.68 -0.10 0.00 0.10 0.00 0.00 66.02 66.83 3d5p s SER 117 CO 0.54 -1.27 1.62 0.15 0.98 0.00 0.00 173.24 175.26 3d5p h PHE 118 N 2.00 0.27 -0.23 5.02 3.57 -1.91 -1.47 116.94 124.19 3d5p h PHE 118 Ca -0.23 -0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.15 3d5p h PHE 118 Cb 1.24 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.89 3d5p h PHE 118 CO 0.60 0.33 -0.29 -0.44 -2.23 0.00 0.00 178.31 176.29 3d5p h ASP 119 N 0.13 0.47 -0.36 0.41 3.32 -1.97 -1.11 116.42 117.30 3d5p h ASP 119 Ca 0.06 -0.17 -0.00 0.00 0.02 0.00 0.00 57.03 56.93 3d5p h ASP 119 Cb 0.18 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 3d5p h ASP 119 CO -0.00 0.75 0.21 -0.78 -1.72 0.00 0.00 179.24 177.69 3d5p h ASP 120 N 0.41 0.44 -0.36 6.45 1.82 -1.93 -1.19 116.42 122.06 3d5p h ASP 120 Ca 0.05 -0.07 0.08 0.00 -0.39 0.00 0.00 57.03 56.70 3d5p h ASP 120 Cb 0.71 -0.11 -0.08 0.00 0.68 0.00 0.00 39.33 40.53 3d5p h ASP 120 CO 0.05 0.39 -0.16 0.15 -1.61 0.00 0.00 179.24 178.06 3d5p h PHE 121 N 0.46 -0.38 -0.98 0.28 3.57 -0.84 0.49 116.94 119.53 3d5p h PHE 121 Ca 0.13 0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.69 3d5p h PHE 121 Cb 0.03 0.23 -0.05 0.00 2.79 0.00 0.00 35.95 38.95 3d5p h PHE 121 CO -0.03 -0.24 0.65 -0.07 -2.23 0.00 0.00 178.31 176.39 3d5p h LEU 122 N -0.09 1.10 -0.12 0.59 3.38 -0.82 -1.39 115.31 117.96 3d5p h LEU 122 Ca 0.18 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 58.03 3d5p h LEU 122 Cb 0.37 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3d5p h LEU 122 CO -0.43 0.78 -0.32 1.23 0.09 0.00 0.00 178.44 179.79 3d5p h GLY 123 N 1.29 0.47 0.41 0.83 0.00 -0.70 -3.07 103.07 102.31 3d5p h GLY 123 Ca 0.38 -0.59 0.13 0.00 0.00 0.00 0.00 47.33 47.24 3d5p h GLY 123 CO -0.10 0.53 0.59 0.50 0.00 0.00 0.00 176.54 178.06 3d5p h LYS 124 N 0.01 0.88 -0.55 4.80 1.57 -0.74 -2.77 116.57 119.76 3d5p h LYS 124 Ca -0.01 -0.05 0.15 0.00 -1.87 0.00 0.00 60.65 58.87 3d5p h LYS 124 Cb 0.94 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 33.02 3d5p h LYS 124 CO 0.07 0.58 0.39 0.00 -0.57 0.00 0.00 179.45 179.92 3d5p h ALA 125 N 1.54 2.45 0.00 3.86 0.00 -1.15 0.15 119.26 126.11 3d5p h ALA 125 Ca 0.49 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.34 3d5p h ALA 125 Cb 0.54 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3d5p h ALA 125 CO -0.29 -0.60 -0.24 0.82 0.00 0.00 0.00 179.25 178.95 3d5p h ILE 126 N 0.05 0.85 0.00 0.00 1.08 -1.58 -3.28 117.51 114.63 3d5p h ILE 126 Ca 0.26 -0.92 0.00 0.00 -0.39 0.00 0.00 64.86 63.82 3d5p h ILE 126 Cb 0.98 1.54 0.00 0.00 -3.07 0.00 0.00 36.82 36.27 3d5p h ILE 126 CO -0.02 0.23 0.00 0.00 -0.69 0.00 0.00 178.15 177.67 3d5p n TYR 127 N -3.80 0.00 -5.16 1.37 4.11 -0.68 -4.26 117.16 108.74 3d5p n TYR 127 Ca -0.02 0.00 -0.32 0.00 -0.00 0.00 0.00 57.90 57.57 3d5p n TYR 127 Cb 0.33 0.00 -0.16 0.00 -0.00 0.00 0.00 39.34 39.51 3d5p n TYR 127 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.86 176.35 3d5p s LEU 128 N -0.53 2.20 -0.41 -3.48 1.02 0.45 -5.08 118.68 112.84 3d5p s LEU 128 Ca 0.00 -0.49 -0.21 0.00 0.02 0.00 0.00 54.13 53.45 3d5p s LEU 128 Cb 0.00 -1.43 0.02 0.00 0.02 0.00 0.00 46.19 44.80 3d5p s LEU 128 CO 0.00 0.20 0.66 0.21 0.02 0.00 0.00 176.35 177.44 3d5p s ASN 129 N 0.10 6.37 0.20 2.29 3.84 -1.26 -4.53 114.94 121.95 3d5p s ASN 129 Ca -0.11 -0.15 0.21 0.00 0.21 0.00 0.00 52.86 53.02 3d5p s ASN 129 Cb -0.16 -2.33 0.90 0.00 -0.55 0.00 0.00 41.25 39.11 3d5p s ASN 129 CO 0.06 -0.74 1.65 0.49 -2.79 0.00 0.00 177.10 175.77 3d5p n PHE 130 N 6.25 0.62 0.93 0.43 3.72 -1.26 -0.81 117.46 127.35 3d5p n PHE 130 Ca -0.01 0.25 0.14 0.00 -0.05 0.00 0.00 57.45 57.77 3d5p n PHE 130 Cb 0.48 -0.90 0.57 0.00 -0.94 0.00 0.00 39.48 38.69 3d5p n PHE 130 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 3d5p n ASN 131 N -2.07 0.16 0.00 4.37 3.02 -1.26 -5.13 115.26 114.35 3d5p n ASN 131 Ca 0.02 0.48 0.00 0.00 -0.03 0.00 0.00 54.58 55.06 3d5p n ASN 131 Cb 0.21 -0.52 0.00 0.00 -0.61 0.00 0.00 39.78 38.86 3d5p n ASN 131 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93