#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dng s SER 27 N 0.00 6.87 0.12 1.61 1.04 -1.26 -5.00 113.70 117.08 2dng s SER 27 Ca 0.00 1.04 -0.23 0.00 0.48 0.00 0.00 55.95 57.25 2dng s SER 27 Cb 0.00 -2.28 -0.05 0.00 0.10 0.00 0.00 66.02 63.79 2dng s SER 27 CO 0.00 0.28 1.68 0.77 0.98 0.00 0.00 173.24 176.95 2dng h SER 28 N 4.47 -0.40 -4.57 7.02 4.64 -2.13 -3.48 113.55 119.11 2dng h SER 28 Ca -0.51 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 2dng h SER 28 Cb 1.21 0.18 -0.05 0.00 -0.31 0.00 0.00 62.40 63.43 2dng h SER 28 CO 0.63 -0.18 -1.08 0.61 -0.87 0.00 0.00 176.83 175.94 2dng n GLY 29 N -1.27 -5.23 1.11 -0.77 0.00 -1.26 -5.05 105.19 92.73 2dng n GLY 29 Ca -0.04 0.67 0.00 0.00 0.00 0.00 0.00 46.02 46.65 2dng n GLY 29 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dng n SER 30 N 1.52 0.59 -4.45 1.61 2.88 -1.26 -5.04 113.62 109.46 2dng n SER 30 Ca -0.17 0.10 -0.35 0.00 -1.33 0.00 0.00 58.87 57.13 2dng n SER 30 Cb 0.26 -0.16 -0.12 0.00 -0.75 0.00 0.00 64.21 63.43 2dng n SER 30 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dng s SER 31 N -5.53 4.84 -0.53 -3.46 0.15 -1.26 -5.07 113.70 102.84 2dng s SER 31 Ca 0.00 -0.19 -0.27 0.00 0.70 0.00 0.00 55.95 56.19 2dng s SER 31 Cb 0.00 -1.82 0.03 0.00 -1.71 0.00 0.00 66.02 62.52 2dng s SER 31 CO 0.00 0.08 1.06 -0.83 1.20 0.00 0.00 173.24 174.74 2dng s GLY 32 N 0.93 1.31 -0.04 9.45 0.00 -1.26 -5.02 107.32 112.69 2dng s GLY 32 Ca 0.01 -0.88 -0.04 0.00 0.00 0.00 0.00 44.72 43.81 2dng s GLY 32 CO 0.02 2.26 0.18 -1.59 0.00 0.00 0.00 173.10 173.97 2dng s LYS 33 N 4.33 3.45 -0.08 2.90 0.00 -1.26 -5.10 119.74 123.98 2dng s LYS 33 Ca 0.39 -0.25 0.01 0.00 0.00 0.00 0.00 55.97 56.12 2dng s LYS 33 Cb -0.09 -3.12 0.02 0.00 0.00 0.00 0.00 37.83 34.63 2dng s LYS 33 CO 0.25 0.70 -0.10 -1.21 0.00 0.00 0.00 175.35 174.99 2dng s GLU 34 N -1.69 1.63 0.16 1.78 2.02 -1.26 -5.14 118.70 116.19 2dng s GLU 34 Ca 0.24 -0.35 0.03 0.00 0.02 0.00 0.00 54.97 54.91 2dng s GLU 34 Cb -0.13 -1.48 -0.03 0.00 0.10 0.00 0.00 34.13 32.59 2dng s GLU 34 CO 0.15 -0.09 0.28 -0.51 0.02 0.00 0.00 175.26 175.11 2dng s LEU 35 N 1.08 4.30 0.12 1.80 1.43 -1.26 -5.04 118.68 121.11 2dng s LEU 35 Ca -0.07 0.13 -0.35 0.00 -1.03 0.00 0.00 54.13 52.82 2dng s LEU 35 Cb -0.14 -2.86 -0.17 0.00 0.03 0.00 0.00 46.19 43.04 2dng s LEU 35 CO -0.01 0.04 1.08 -2.65 0.23 0.00 0.00 176.35 175.04 2dng n PRO 36 N -0.65 0.71 0.08 1.29 -0.02 -1.26 -4.88 135.00 130.28 2dng n PRO 36 Ca -0.07 0.25 -0.05 0.00 -2.02 0.00 0.00 63.50 61.61 2dng n PRO 36 Cb 0.54 -1.71 -0.05 0.00 -0.02 0.00 0.00 33.50 32.26 2dng n PRO 36 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 2dng h THR 37 N 2.64 1.56 -3.21 3.45 1.35 -1.96 -3.46 112.91 113.27 2dng h THR 37 Ca -0.44 -3.06 -0.11 0.00 -0.55 0.00 0.00 66.41 62.26 2dng h THR 37 Cb 1.38 2.68 -0.18 0.00 -1.73 0.00 0.00 68.15 70.29 2dng h THR 37 CO 0.68 0.86 -0.28 -1.61 -0.25 0.00 0.00 175.52 174.92 2dng s GLU 38 N -2.89 0.72 1.04 4.72 2.02 -1.26 -5.17 118.70 117.88 2dng s GLU 38 Ca 0.01 -0.37 -0.12 0.00 0.02 0.00 0.00 54.97 54.50 2dng s GLU 38 Cb 0.10 0.32 0.21 0.00 0.10 0.00 0.00 34.13 34.86 2dng s GLU 38 CO 0.80 -0.22 1.08 -1.25 0.02 0.00 0.00 175.26 175.69 2dng s PRO 39 N -1.97 0.11 1.15 0.39 0.04 -1.26 -4.74 135.00 128.72 2dng s PRO 39 Ca -0.09 0.57 -0.17 0.00 0.04 0.00 0.00 61.00 61.35 2dng s PRO 39 Cb -0.03 -1.70 0.26 0.00 0.04 0.00 0.00 34.50 33.07 2dng s PRO 39 CO 0.00 -2.96 1.11 -1.25 0.04 0.00 0.00 177.00 173.94 2dng s PRO 40 N -4.86 -0.79 -0.24 0.56 0.04 -1.26 -5.15 135.00 123.31 2dng s PRO 40 Ca 0.66 0.08 0.02 0.00 0.04 0.00 0.00 61.00 61.80 2dng s PRO 40 Cb -0.20 -1.63 0.06 0.00 0.04 0.00 0.00 34.50 32.76 2dng s PRO 40 CO 0.59 -3.45 -0.09 0.71 0.04 0.00 0.00 177.00 174.80 2dng s TYR 41 N -3.00 2.74 0.04 0.56 2.02 -1.26 -5.05 117.35 113.41 2dng s TYR 41 Ca 0.69 -1.94 0.04 0.00 -0.37 0.00 0.00 57.07 55.49 2dng s TYR 41 Cb -0.12 -1.73 -0.04 0.00 -0.40 0.00 0.00 41.96 39.67 2dng s TYR 41 CO 0.56 -0.81 -0.03 0.99 -1.57 0.00 0.00 175.55 174.69 2dng s THR 42 N 1.28 3.86 0.08 -0.71 2.01 -1.26 -1.56 115.64 119.34 2dng s THR 42 Ca -0.06 -0.87 0.08 0.00 0.31 0.00 0.00 61.69 61.15 2dng s THR 42 Cb -0.19 -2.76 -0.03 0.00 0.01 0.00 0.00 72.50 69.53 2dng s THR 42 CO -0.06 0.26 -0.20 0.00 -0.69 0.00 0.00 174.62 173.93 2dng s ALA 43 N -1.15 1.71 -0.20 7.40 0.00 0.91 -3.68 121.76 126.74 2dng s ALA 43 Ca 0.21 -1.15 -0.11 0.00 0.00 0.00 0.00 51.96 50.91 2dng s ALA 43 Cb -0.11 -0.26 -0.05 0.00 0.00 0.00 0.00 23.12 22.70 2dng s ALA 43 CO 0.13 0.35 0.15 -0.47 0.00 0.00 0.00 175.76 175.92 2dng s TYR 44 N -1.06 3.41 -0.21 0.00 6.14 -0.49 -0.66 117.35 124.49 2dng s TYR 44 Ca 0.06 0.36 -0.02 0.00 0.64 0.00 0.00 57.07 58.10 2dng s TYR 44 Cb -0.10 -2.20 0.06 0.00 0.42 0.00 0.00 41.96 40.15 2dng s TYR 44 CO 0.03 0.26 0.02 0.08 0.64 0.00 0.00 175.55 176.58 2dng s VAL 45 N 0.44 0.80 0.52 3.14 1.01 -0.74 -1.73 120.40 123.84 2dng s VAL 45 Ca 0.09 -0.77 0.01 0.00 0.00 0.00 0.00 61.98 61.31 2dng s VAL 45 Cb -0.11 -1.26 0.01 0.00 0.00 0.00 0.00 36.38 35.01 2dng s VAL 45 CO -0.01 -0.20 0.08 0.61 0.00 0.00 0.00 175.10 175.57 2dng n GLY 46 N 4.94 3.41 2.37 4.51 0.00 -0.38 -1.94 105.19 118.11 2dng n GLY 46 Ca -0.09 -2.36 -0.09 0.00 0.00 0.00 0.00 46.02 43.47 2dng n GLY 46 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2dng n ASN 47 N -1.41 -2.52 -4.58 1.61 4.05 -1.24 -2.58 115.26 108.60 2dng n ASN 47 Ca -0.18 -0.35 -0.32 0.00 0.45 0.00 0.00 54.58 54.18 2dng n ASN 47 Cb 0.64 -3.08 -0.11 0.00 1.23 0.00 0.00 39.78 38.47 2dng n ASN 47 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 2dng s LEU 48 N -4.40 3.10 1.03 1.20 1.43 -1.21 -4.54 118.68 115.28 2dng s LEU 48 Ca 0.05 -0.17 -0.17 0.00 -1.03 0.00 0.00 54.13 52.80 2dng s LEU 48 Cb -0.01 -1.78 0.01 0.00 0.03 0.00 0.00 46.19 44.44 2dng s LEU 48 CO 0.41 0.28 -0.16 -2.65 0.23 0.00 0.00 176.35 174.46 2dng n PRO 49 N 1.59 -0.69 -0.01 1.29 -0.02 -1.26 -4.90 135.00 131.01 2dng n PRO 49 Ca -0.16 -0.18 -0.08 0.00 -2.02 0.00 0.00 63.50 61.06 2dng n PRO 49 Cb 0.52 -1.57 0.09 0.00 -0.02 0.00 0.00 33.50 32.52 2dng n PRO 49 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 2dng h PHE 50 N -1.60 0.69 -0.60 6.00 3.57 -1.98 -3.17 116.94 119.86 2dng h PHE 50 Ca -0.47 -0.21 -0.35 0.00 3.53 0.00 0.00 57.97 60.47 2dng h PHE 50 Cb 1.33 -0.14 -0.13 0.00 2.79 0.00 0.00 35.95 39.80 2dng h PHE 50 CO 0.23 0.92 0.19 0.09 -2.23 0.00 0.00 178.31 177.51 2dng n ASN 51 N -4.01 6.10 -4.65 0.41 4.13 -1.26 -4.90 115.26 111.09 2dng n ASN 51 Ca -0.02 -2.94 -0.35 0.00 1.68 0.00 0.00 54.58 52.95 2dng n ASN 51 Cb 0.54 -1.23 -0.10 0.00 -1.54 0.00 0.00 39.78 37.46 2dng n ASN 51 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 2dng s THR 52 N -1.34 4.32 0.23 3.41 2.01 -1.20 -5.01 115.64 118.06 2dng s THR 52 Ca 0.49 -0.23 -0.03 0.00 0.31 0.00 0.00 61.69 62.24 2dng s THR 52 Cb 0.30 -2.85 -0.03 0.00 0.01 0.00 0.00 72.50 69.94 2dng s THR 52 CO -0.10 0.57 0.22 0.68 -0.69 0.00 0.00 174.62 175.30 2dng s VAL 53 N -0.51 0.00 0.21 3.82 -7.23 -1.26 -5.03 120.40 110.41 2dng s VAL 53 Ca 0.09 -1.87 -0.20 0.00 -1.81 0.00 0.00 61.98 58.18 2dng s VAL 53 Cb -0.12 -2.45 0.17 0.00 0.56 0.00 0.00 36.38 34.54 2dng s VAL 53 CO 0.02 0.00 1.56 -0.61 -0.31 0.00 0.00 175.10 175.76 2dng h GLN 54 N 2.49 -0.04 0.04 4.82 4.15 -1.99 -1.35 115.11 123.24 2dng h GLN 54 Ca -0.33 0.00 0.01 0.00 0.77 0.00 0.00 58.65 59.11 2dng h GLN 54 Cb 1.25 0.01 -0.04 0.00 0.21 0.00 0.00 27.48 28.90 2dng h GLN 54 CO 0.48 -0.02 -0.46 0.78 -1.93 0.00 0.00 178.83 177.68 2dng h GLY 55 N -0.04 -1.17 -0.32 2.39 0.00 -1.99 -1.75 103.07 100.19 2dng h GLY 55 Ca 0.29 0.65 0.03 0.00 0.00 0.00 0.00 47.33 48.30 2dng h GLY 55 CO -0.93 -0.29 -0.19 1.34 0.00 0.00 0.00 176.54 176.48 2dng n ASP 56 N -5.01 -0.34 -0.34 0.19 -0.08 -0.53 0.15 116.55 110.58 2dng n ASP 56 Ca -0.07 1.02 0.15 0.00 -1.51 0.00 0.00 54.79 54.38 2dng n ASP 56 Cb 0.34 -0.30 0.36 0.00 2.34 0.00 0.00 41.12 43.87 2dng n ASP 56 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 2dng h ILE 57 N 0.00 0.66 -0.92 5.18 1.08 -1.32 0.18 117.51 122.37 2dng h ILE 57 Ca 0.05 -0.23 0.08 0.00 -0.39 0.00 0.00 64.86 64.36 2dng h ILE 57 Cb 0.13 -0.08 -0.06 0.00 -3.07 0.00 0.00 36.82 33.74 2dng h ILE 57 CO -0.30 0.12 0.59 -0.78 -0.69 0.00 0.00 178.15 177.10 2dng h ASP 58 N 0.68 0.89 0.37 1.72 3.58 0.22 -1.38 116.42 122.50 2dng h ASP 58 Ca 0.58 0.01 -0.19 0.00 0.42 0.00 0.00 57.03 57.86 2dng h ASP 58 Cb 1.02 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.89 2dng h ASP 58 CO -0.38 0.55 -0.79 0.00 -2.88 0.00 0.00 179.24 175.75 2dng h ALA 59 N 1.52 0.57 -0.81 -0.78 0.00 0.64 -1.02 119.26 119.38 2dng h ALA 59 Ca 0.41 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2dng h ALA 59 Cb 0.27 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 2dng h ALA 59 CO -0.16 0.81 0.51 0.82 0.00 0.00 0.00 179.25 181.22 2dng h ILE 60 N 0.21 1.22 -0.46 0.00 2.04 -0.41 -2.82 117.51 117.29 2dng h ILE 60 Ca -0.04 -0.45 -0.29 0.00 1.00 0.00 0.00 64.86 65.09 2dng h ILE 60 Cb 1.38 0.07 -0.18 0.00 -0.74 0.00 0.00 36.82 37.34 2dng h ILE 60 CO 0.13 0.22 -0.19 0.49 0.00 0.00 0.00 178.15 178.80 2dng n PHE 61 N -4.49 1.52 0.29 1.37 3.72 -0.84 -4.70 117.46 114.33 2dng n PHE 61 Ca 0.08 -1.86 0.19 0.00 -0.05 0.00 0.00 57.45 55.81 2dng n PHE 61 Cb 0.04 -0.53 1.02 0.00 -0.94 0.00 0.00 39.48 39.07 2dng n PHE 61 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 2dng h LYS 62 N 1.33 0.00 0.14 -1.08 2.10 -0.91 -1.00 116.57 117.16 2dng h LYS 62 Ca 0.27 0.00 -0.30 0.00 -2.00 0.00 0.00 60.65 58.62 2dng h LYS 62 Cb 1.50 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 32.86 2dng h LYS 62 CO 0.54 0.00 -1.27 -0.44 -2.00 0.00 0.00 179.45 176.28 2dng h ASP 63 N 0.00 0.73 -4.31 7.07 3.32 -1.84 -3.46 116.42 117.92 2dng h ASP 63 Ca 0.00 -0.71 -0.35 0.00 0.02 0.00 0.00 57.03 55.99 2dng h ASP 63 Cb 0.06 -0.23 0.10 0.00 0.22 0.00 0.00 39.33 39.47 2dng h ASP 63 CO 0.00 1.54 0.20 0.18 -1.72 0.00 0.00 179.24 179.43 2dng n LEU 64 N -3.71 0.00 -4.53 1.55 4.77 -0.38 -5.05 117.00 109.66 2dng n LEU 64 Ca -0.12 -1.41 -0.41 0.00 -0.03 0.00 0.00 56.01 54.03 2dng n LEU 64 Cb 1.01 -0.63 -0.09 0.00 -2.33 0.00 0.00 43.42 41.38 2dng n LEU 64 CO 0.57 -1.04 0.06 -0.55 -1.33 0.00 0.00 177.39 175.10 2dng s SER 65 N -4.44 6.19 -0.33 -1.43 0.15 -1.26 -5.01 113.70 107.57 2dng s SER 65 Ca 0.55 -0.34 -0.10 0.00 0.70 0.00 0.00 55.95 56.75 2dng s SER 65 Cb -0.02 -2.21 -0.00 0.00 -1.71 0.00 0.00 66.02 62.08 2dng s SER 65 CO 0.37 -0.41 0.18 -0.63 1.20 0.00 0.00 173.24 173.95 2dng s ILE 66 N 2.06 4.70 -0.11 6.45 1.01 -1.26 -3.35 121.20 130.69 2dng s ILE 66 Ca 0.12 -0.48 -0.06 0.00 0.00 0.00 0.00 60.65 60.23 2dng s ILE 66 Cb -0.17 -3.45 -0.05 0.00 0.01 0.00 0.00 42.46 38.81 2dng s ILE 66 CO 0.12 -0.01 0.12 -0.09 0.00 0.00 0.00 174.94 175.08 2dng h ARG 67 N 8.39 0.00 -2.28 2.79 9.65 -1.45 -3.48 114.38 128.00 2dng h ARG 67 Ca -0.31 0.00 -0.07 0.00 -1.10 0.00 0.00 59.98 58.50 2dng h ARG 67 Cb 1.14 0.00 -0.20 0.00 -1.39 0.00 0.00 29.97 29.52 2dng h ARG 67 CO 0.63 0.19 0.05 0.45 2.80 0.00 0.00 179.97 184.09 2dng s SER 68 N -5.71 -0.55 -0.31 -3.80 0.15 -1.25 -5.00 113.70 97.25 2dng s SER 68 Ca -0.05 0.66 0.03 0.00 0.70 0.00 0.00 55.95 57.29 2dng s SER 68 Cb -0.00 0.61 0.08 0.00 -1.71 0.00 0.00 66.02 65.00 2dng s SER 68 CO 0.15 -0.51 -0.01 -0.69 1.20 0.00 0.00 173.24 173.38 2dng s VAL 69 N -0.97 2.15 -0.63 4.45 1.01 -1.26 -0.69 120.40 124.47 2dng s VAL 69 Ca -0.10 -2.01 -0.22 0.00 0.00 0.00 0.00 61.98 59.65 2dng s VAL 69 Cb -0.02 -2.46 0.07 0.00 0.00 0.00 0.00 36.38 33.97 2dng s VAL 69 CO 0.07 -0.37 0.92 -0.13 0.00 0.00 0.00 175.10 175.58 2dng s ARG 70 N 1.02 3.13 -0.29 2.72 1.81 -0.16 -4.95 118.95 122.24 2dng s ARG 70 Ca 0.03 -0.81 -0.26 0.00 -1.72 0.00 0.00 55.73 52.97 2dng s ARG 70 Cb -0.19 -4.20 0.01 0.00 -0.45 0.00 0.00 34.95 30.11 2dng s ARG 70 CO -0.07 -1.71 0.91 -0.51 -0.68 0.00 0.00 175.30 173.23 2dng s LEU 71 N 3.83 4.04 0.51 2.53 1.43 -1.26 -1.70 118.68 128.06 2dng s LEU 71 Ca 0.22 0.90 -0.20 0.00 -1.03 0.00 0.00 54.13 54.01 2dng s LEU 71 Cb -0.17 -3.28 -0.07 0.00 0.03 0.00 0.00 46.19 42.70 2dng s LEU 71 CO 0.11 -0.69 1.12 -0.69 0.23 0.00 0.00 176.35 176.43 2dng s VAL 72 N 3.18 3.28 0.28 -1.59 1.01 -1.19 -4.99 120.40 120.38 2dng s VAL 72 Ca 0.38 0.83 -0.06 0.00 0.00 0.00 0.00 61.98 63.13 2dng s VAL 72 Cb -0.14 -3.35 -0.01 0.00 0.00 0.00 0.00 36.38 32.88 2dng s VAL 72 CO 0.12 -0.14 0.39 0.00 0.00 0.00 0.00 175.10 175.47 2dng s ARG 73 N -3.15 1.61 0.91 2.72 1.04 -1.26 -2.10 118.95 118.73 2dng s ARG 73 Ca 0.70 -1.55 -0.14 0.00 -1.04 0.00 0.00 55.73 53.69 2dng s ARG 73 Cb -0.23 0.41 0.17 0.00 -2.04 0.00 0.00 34.95 33.26 2dng s ARG 73 CO 0.27 -0.64 1.27 -0.51 -0.04 0.00 0.00 175.30 175.65 2dng s ASP 74 N -3.15 3.45 -0.14 -2.89 1.01 -1.22 -4.82 116.67 108.91 2dng s ASP 74 Ca 0.30 0.28 0.18 0.00 0.71 0.00 0.00 52.55 54.02 2dng s ASP 74 Cb 0.01 -0.43 -0.25 0.00 1.01 0.00 0.00 42.92 43.26 2dng s ASP 74 CO 0.15 -2.52 0.25 1.17 0.21 0.00 0.00 175.17 174.42 2dng n LYS 75 N -3.60 0.67 -0.11 8.23 4.81 -1.26 -3.45 118.16 123.45 2dng n LYS 75 Ca 0.14 0.02 -0.18 0.00 -0.87 0.00 0.00 58.31 57.41 2dng n LYS 75 Cb 0.60 -1.57 -0.06 0.00 0.02 0.00 0.00 35.03 34.01 2dng n LYS 75 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2dng n ASP 76 N -2.73 1.95 0.09 3.14 8.00 -1.26 -4.60 116.55 121.14 2dng n ASP 76 Ca -0.26 0.34 -0.04 0.00 0.71 0.00 0.00 54.79 55.54 2dng n ASP 76 Cb 1.05 -0.78 -0.02 0.00 -0.02 0.00 0.00 41.12 41.35 2dng n ASP 76 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 2dng h THR 77 N -1.00 1.57 -6.11 -3.53 1.35 -2.00 -3.47 112.91 99.72 2dng h THR 77 Ca -0.32 -2.93 -0.42 0.00 -0.55 0.00 0.00 66.41 62.18 2dng h THR 77 Cb 1.28 2.60 0.04 0.00 -1.73 0.00 0.00 68.15 70.34 2dng h THR 77 CO -0.19 0.83 -0.82 0.47 -0.25 0.00 0.00 175.52 175.55 2dng n ASP 78 N -3.48 -1.72 -4.20 5.36 9.92 -1.22 -4.90 116.55 116.31 2dng n ASP 78 Ca -0.00 -0.81 -0.28 0.00 -0.53 0.00 0.00 54.79 53.17 2dng n ASP 78 Cb 0.82 -4.06 -0.16 0.00 -0.64 0.00 0.00 41.12 37.09 2dng n ASP 78 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 2dng s LYS 79 N -6.06 1.91 -0.37 -1.24 1.02 -1.26 -4.70 119.74 109.04 2dng s LYS 79 Ca 0.10 -0.73 -0.33 0.00 0.02 0.00 0.00 55.97 55.03 2dng s LYS 79 Cb -0.05 -1.72 -0.14 0.00 -0.52 0.00 0.00 37.83 35.40 2dng s LYS 79 CO 0.81 0.36 1.54 0.34 -0.92 0.00 0.00 175.35 177.48 2dng n PHE 80 N 2.86 0.91 -0.22 3.18 7.35 -1.26 -3.38 117.46 126.91 2dng n PHE 80 Ca -0.17 0.60 -0.06 0.00 -0.76 0.00 0.00 57.45 57.07 2dng n PHE 80 Cb 0.53 -1.69 0.04 0.00 0.35 0.00 0.00 39.48 38.70 2dng n PHE 80 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 2dng h LYS 81 N 6.32 0.81 0.00 -4.13 1.79 -1.74 -3.47 116.57 116.15 2dng h LYS 81 Ca -0.10 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.32 2dng h LYS 81 Cb 1.05 -0.18 0.00 0.00 -1.58 0.00 0.00 32.23 31.52 2dng h LYS 81 CO 0.80 0.54 0.00 0.41 -1.08 0.00 0.00 179.45 180.12 2dng n GLY 82 N -1.27 0.93 3.51 3.86 0.00 -1.26 -5.10 105.19 105.86 2dng n GLY 82 Ca 0.05 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.80 2dng n GLY 82 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2dng s PHE 83 N 0.00 2.50 0.06 1.61 -0.71 -1.26 -3.35 117.98 116.83 2dng s PHE 83 Ca 0.00 -0.28 -0.12 0.00 -1.04 0.00 0.00 56.93 55.49 2dng s PHE 83 Cb 0.00 -1.24 0.01 0.00 -1.21 0.00 0.00 43.02 40.59 2dng s PHE 83 CO 0.00 0.50 0.27 0.00 -1.34 0.00 0.00 175.22 174.65 2dng s TYR 85 N -3.00 3.16 -0.19 0.00 1.51 -0.69 -1.79 117.35 116.35 2dng s TYR 85 Ca -0.02 -0.17 -0.05 0.00 -1.01 0.00 0.00 57.07 55.82 2dng s TYR 85 Cb 0.01 -2.24 -0.03 0.00 -0.11 0.00 0.00 41.96 39.59 2dng s TYR 85 CO -0.06 -0.19 0.01 0.08 -1.11 0.00 0.00 175.55 174.28 2dng s VAL 86 N 1.38 4.11 0.21 0.71 1.01 0.17 -0.98 120.40 127.01 2dng s VAL 86 Ca 0.06 -0.26 -0.01 0.00 0.00 0.00 0.00 61.98 61.77 2dng s VAL 86 Cb -0.15 -2.85 -0.04 0.00 0.00 0.00 0.00 36.38 33.34 2dng s VAL 86 CO 0.05 0.44 0.40 -0.70 0.00 0.00 0.00 175.10 175.28 2dng s GLU 87 N 0.84 3.52 0.25 2.72 2.12 0.14 -0.06 118.70 128.22 2dng s GLU 87 Ca 0.01 -0.34 0.04 0.00 0.36 0.00 0.00 54.97 55.04 2dng s GLU 87 Cb -0.14 -2.83 -0.05 0.00 0.26 0.00 0.00 34.13 31.36 2dng s GLU 87 CO 0.02 0.39 0.00 -0.06 -0.54 0.00 0.00 175.26 175.07 2dng s PHE 88 N -1.89 1.69 0.00 5.30 0.40 -0.60 -1.23 117.98 121.64 2dng s PHE 88 Ca 0.38 -0.91 0.00 0.00 -0.60 0.00 0.00 56.93 55.81 2dng s PHE 88 Cb -0.11 -1.00 0.00 0.00 0.51 0.00 0.00 43.02 42.42 2dng s PHE 88 CO 0.29 0.00 0.30 -0.25 0.70 0.00 0.00 175.22 176.27 2dng n ASP 89 N -0.49 0.00 -4.18 1.36 9.92 -1.21 -4.28 116.55 117.66 2dng n ASP 89 Ca -0.04 0.62 -0.15 0.00 -0.53 0.00 0.00 54.79 54.69 2dng n ASP 89 Cb 0.64 -0.46 0.05 0.00 -0.64 0.00 0.00 41.12 40.71 2dng n ASP 89 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2dng n GLU 90 N -1.89 0.66 0.05 -1.24 -0.58 -1.26 -4.71 120.64 111.67 2dng n GLU 90 Ca 0.00 -2.32 -0.09 0.00 -0.42 0.00 0.00 57.16 54.33 2dng n GLU 90 Cb 0.00 -0.20 -0.13 0.00 -0.57 0.00 0.00 31.44 30.54 2dng n GLU 90 CO 0.00 0.00 0.00 -0.24 -0.48 0.00 0.00 177.13 176.41 2dng h VAL 91 N 0.03 1.52 -0.55 2.62 3.04 -1.97 -3.33 116.25 117.61 2dng h VAL 91 Ca -0.21 -3.23 0.08 0.00 -1.01 0.00 0.00 66.70 62.34 2dng h VAL 91 Cb 0.93 2.79 -0.07 0.00 -2.01 0.00 0.00 31.29 32.94 2dng h VAL 91 CO 0.29 0.88 0.19 -0.78 -1.01 0.00 0.00 177.57 177.14 2dng h ASP 92 N 0.01 0.18 -0.20 3.17 1.82 -1.99 -0.19 116.42 119.23 2dng h ASP 92 Ca -0.08 0.07 0.04 0.00 -0.39 0.00 0.00 57.03 56.67 2dng h ASP 92 Cb 1.85 0.06 -0.04 0.00 0.68 0.00 0.00 39.33 41.88 2dng h ASP 92 CO 0.13 0.12 -0.06 0.28 -1.61 0.00 0.00 179.24 178.10 2dng h SER 93 N 0.36 -0.21 0.84 2.28 0.02 -1.96 -1.49 113.55 113.40 2dng h SER 93 Ca 0.27 0.06 -0.04 0.00 -0.84 0.00 0.00 61.79 61.24 2dng h SER 93 Cb 0.32 0.13 0.01 0.00 0.14 0.00 0.00 62.40 63.00 2dng h SER 93 CO -0.28 -0.08 -0.40 0.25 -1.14 0.00 0.00 176.83 175.18 2dng h LEU 94 N -0.01 -0.95 -0.94 5.07 5.85 -1.54 -0.50 115.31 122.29 2dng h LEU 94 Ca 0.10 0.03 0.28 0.00 0.84 0.00 0.00 57.88 59.13 2dng h LEU 94 Cb 0.16 0.25 -0.15 0.00 0.37 0.00 0.00 40.66 41.29 2dng h LEU 94 CO -0.21 -0.67 0.34 0.50 -0.34 0.00 0.00 178.44 178.06 2dng h LYS 95 N -1.15 0.20 -0.20 1.25 3.64 -0.93 0.78 116.57 120.16 2dng h LYS 95 Ca -0.11 -0.01 -0.15 0.00 -1.27 0.00 0.00 60.65 59.11 2dng h LYS 95 Cb 0.87 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.63 2dng h LYS 95 CO 0.19 0.13 -0.48 1.49 -2.27 0.00 0.00 179.45 178.50 2dng h GLU 96 N 0.20 0.54 0.00 1.90 4.57 -1.02 -2.80 114.58 117.96 2dng h GLU 96 Ca 0.64 -0.31 -0.00 0.00 -1.18 0.00 0.00 59.36 58.51 2dng h GLU 96 Cb 1.39 0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 30.00 2dng h GLU 96 CO -0.68 0.91 -0.01 0.00 -1.18 0.00 0.00 179.01 178.04 2dng h ALA 97 N 1.04 1.01 0.00 2.92 0.00 0.22 -2.43 119.26 122.01 2dng h ALA 97 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2dng h ALA 97 Cb 1.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.79 2dng h ALA 97 CO 0.09 0.02 0.00 1.28 0.00 0.00 0.00 179.25 180.64 2dng n LEU 98 N -3.11 0.68 0.11 0.00 4.77 0.10 -2.28 117.00 117.27 2dng n LEU 98 Ca 0.00 0.67 -0.02 0.00 -0.03 0.00 0.00 56.01 56.63 2dng n LEU 98 Cb 0.30 -0.58 0.00 0.00 -2.33 0.00 0.00 43.42 40.82 2dng n LEU 98 CO 0.27 -0.56 0.34 0.71 -1.33 0.00 0.00 177.39 176.82 2dng h THR 99 N 0.00 1.31 0.00 -5.08 1.35 -1.55 -3.16 112.91 105.78 2dng h THR 99 Ca 0.00 -2.69 0.00 0.00 -0.55 0.00 0.00 66.41 63.17 2dng h THR 99 Cb 0.37 2.54 0.00 0.00 -1.73 0.00 0.00 68.15 69.33 2dng h THR 99 CO 0.00 0.71 0.07 -1.22 -0.25 0.00 0.00 175.52 174.84 2dng n TYR 100 N -3.37 0.48 -1.94 4.73 4.02 -0.96 -4.33 117.16 115.79 2dng n TYR 100 Ca 0.01 0.25 -0.24 0.00 -0.01 0.00 0.00 57.90 57.91 2dng n TYR 100 Cb 0.79 -0.85 -0.06 0.00 -0.02 0.00 0.00 39.34 39.20 2dng n TYR 100 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 2dng s ASP 101 N -3.61 4.78 0.00 7.72 2.15 -1.20 -1.70 116.67 124.82 2dng s ASP 101 Ca -0.02 -0.79 0.00 0.00 0.43 0.00 0.00 52.55 52.17 2dng s ASP 101 Cb 0.04 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 40.09 2dng s ASP 101 CO 0.13 -3.15 0.00 0.61 -0.17 0.00 0.00 175.17 172.59 2dng n GLY 102 N 6.57 0.17 3.93 2.66 0.00 -1.25 -4.95 105.19 112.32 2dng n GLY 102 Ca 0.42 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.19 2dng n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dng s ALA 103 N 0.00 3.21 -0.11 4.61 0.00 -0.69 -4.94 121.76 123.84 2dng s ALA 103 Ca 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 51.96 51.08 2dng s ALA 103 Cb 0.00 -2.59 -0.02 0.00 0.00 0.00 0.00 23.12 20.51 2dng s ALA 103 CO 0.00 -1.17 -0.12 -0.51 0.00 0.00 0.00 175.76 173.96 2dng s LEU 104 N -5.18 2.83 -0.53 0.00 1.43 -1.26 -2.29 118.68 113.67 2dng s LEU 104 Ca 0.59 -0.25 -0.07 0.00 -1.03 0.00 0.00 54.13 53.37 2dng s LEU 104 Cb -0.11 -1.63 0.14 0.00 0.03 0.00 0.00 46.19 44.62 2dng s LEU 104 CO 0.45 0.21 0.38 -0.22 0.23 0.00 0.00 176.35 177.40 2dng s LEU 105 N 0.06 5.59 0.00 1.79 2.96 0.12 -4.94 118.68 124.25 2dng s LEU 105 Ca -0.04 -2.27 0.00 0.00 -0.22 0.00 0.00 54.13 51.60 2dng s LEU 105 Cb -0.14 -1.95 0.00 0.00 0.50 0.00 0.00 46.19 44.60 2dng s LEU 105 CO 0.04 -0.56 0.00 0.61 -1.32 0.00 0.00 176.35 175.12 2dng n GLY 106 N 4.36 2.87 1.81 7.98 0.00 -1.26 -1.73 105.19 119.22 2dng n GLY 106 Ca -0.00 0.04 0.07 0.00 0.00 0.00 0.00 46.02 46.12 2dng n GLY 106 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2dng n ASP 107 N 9.86 5.45 -2.11 1.61 5.75 -1.26 -4.95 116.55 130.89 2dng n ASP 107 Ca 0.00 -2.84 -0.09 0.00 -0.01 0.00 0.00 54.79 51.85 2dng n ASP 107 Cb 0.00 -0.67 -0.03 0.00 -1.03 0.00 0.00 41.12 39.39 2dng n ASP 107 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2dng n ARG 108 N 0.66 0.30 -3.52 0.11 1.74 -0.70 -5.16 116.66 110.09 2dng n ARG 108 Ca 0.26 -1.61 -0.22 0.00 -0.77 0.00 0.00 57.85 55.52 2dng n ARG 108 Cb 1.13 1.43 -0.01 0.00 -1.02 0.00 0.00 32.46 33.99 2dng n ARG 108 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2dng n SER 109 N -2.08 2.56 -4.15 0.55 2.88 -1.26 0.10 113.62 112.22 2dng n SER 109 Ca 0.02 -2.54 -0.19 0.00 -1.33 0.00 0.00 58.87 54.83 2dng n SER 109 Cb 0.31 0.05 -0.13 0.00 -0.75 0.00 0.00 64.21 63.70 2dng n SER 109 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2dng s LEU 110 N 0.00 2.21 -0.28 2.46 1.43 -0.97 -4.42 118.68 119.11 2dng s LEU 110 Ca 0.18 -0.52 -0.01 0.00 -1.03 0.00 0.00 54.13 52.74 2dng s LEU 110 Cb -0.01 -0.57 0.09 0.00 0.03 0.00 0.00 46.19 45.72 2dng s LEU 110 CO 0.11 -0.01 0.08 -0.60 0.23 0.00 0.00 176.35 176.16 2dng s ARG 111 N -1.37 0.74 -0.20 1.70 6.06 -1.06 -3.95 118.95 120.86 2dng s ARG 111 Ca 0.00 -0.91 -0.02 0.00 -2.50 0.00 0.00 55.73 52.31 2dng s ARG 111 Cb -0.09 -2.02 0.00 0.00 0.06 0.00 0.00 34.95 32.90 2dng s ARG 111 CO 0.02 -0.89 -0.11 0.08 -2.50 0.00 0.00 175.30 171.90 2dng s VAL 112 N 1.67 2.86 0.06 7.11 1.01 -1.26 -1.25 120.40 130.60 2dng s VAL 112 Ca 0.06 -0.67 -0.00 0.00 0.00 0.00 0.00 61.98 61.37 2dng s VAL 112 Cb -0.17 -2.26 -0.04 0.00 0.00 0.00 0.00 36.38 33.91 2dng s VAL 112 CO -0.21 0.47 -0.04 -0.62 0.00 0.00 0.00 175.10 174.71 2dng s ASP 113 N 1.34 0.60 -0.26 3.32 2.15 -0.71 -4.55 116.67 118.57 2dng s ASP 113 Ca 0.04 -0.93 -0.28 0.00 0.43 0.00 0.00 52.55 51.81 2dng s ASP 113 Cb -0.14 0.16 -0.04 0.00 -0.30 0.00 0.00 42.92 42.61 2dng s ASP 113 CO -0.06 -0.53 2.01 -0.63 -0.17 0.00 0.00 175.17 175.79 2dng s ILE 114 N -3.50 3.23 -0.62 4.11 1.01 -1.26 -1.39 121.20 122.78 2dng s ILE 114 Ca 0.05 0.24 -0.26 0.00 0.00 0.00 0.00 60.65 60.68 2dng s ILE 114 Cb 0.05 -3.31 -0.03 0.00 0.01 0.00 0.00 42.46 39.18 2dng s ILE 114 CO -0.08 -0.19 1.92 0.00 0.00 0.00 0.00 174.94 176.60 2dng s ALA 115 N 7.50 2.07 -0.34 9.38 0.00 -1.24 -4.84 121.76 134.29 2dng s ALA 115 Ca 0.90 -0.65 -0.14 0.00 0.00 0.00 0.00 51.96 52.08 2dng s ALA 115 Cb -0.28 -4.33 -0.02 0.00 0.00 0.00 0.00 23.12 18.49 2dng s ALA 115 CO 0.34 -4.03 0.29 -1.83 0.00 0.00 0.00 175.76 170.54 2dng s GLU 116 N 7.18 3.53 -0.34 0.00 -1.05 -1.26 -4.83 118.70 121.93 2dng s GLU 116 Ca 0.70 -0.54 0.01 0.00 -0.15 0.00 0.00 54.97 54.99 2dng s GLU 116 Cb -0.13 -3.81 0.14 0.00 -0.44 0.00 0.00 34.13 29.90 2dng s GLU 116 CO 0.20 -0.48 0.31 0.20 0.95 0.00 0.00 175.26 176.44 2dng s GLY 117 N 1.73 0.11 0.99 -3.83 0.00 -1.26 -5.14 107.32 99.91 2dng s GLY 117 Ca 0.09 -0.91 -0.13 0.00 0.00 0.00 0.00 44.72 43.76 2dng s GLY 117 CO 0.11 2.56 0.53 0.54 0.00 0.00 0.00 173.10 176.84 2dng n ARG 118 N 4.62 -0.67 -3.78 2.90 1.74 -1.26 -5.01 116.66 115.21 2dng n ARG 118 Ca 0.06 -0.15 -0.29 0.00 -0.77 0.00 0.00 57.85 56.69 2dng n ARG 118 Cb 0.44 -1.96 -0.15 0.00 -1.02 0.00 0.00 32.46 29.77 2dng n ARG 118 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2dng s LYS 119 N -3.85 0.87 0.15 5.56 -0.14 -1.26 -5.11 119.74 115.96 2dng s LYS 119 Ca 0.59 -0.91 -0.31 0.00 -1.36 0.00 0.00 55.97 53.98 2dng s LYS 119 Cb -0.20 -2.16 -0.11 0.00 -1.68 0.00 0.00 37.83 33.68 2dng s LYS 119 CO 0.65 -0.83 1.76 -1.14 -0.76 0.00 0.00 175.35 175.03 2dng s GLN 120 N 1.62 4.14 0.94 1.68 2.00 -1.26 -4.94 119.66 123.84 2dng s GLN 120 Ca 0.04 2.56 -0.12 0.00 -2.00 0.00 0.00 55.36 55.85 2dng s GLN 120 Cb -0.18 -3.38 0.07 0.00 0.80 0.00 0.00 33.01 30.32 2dng s GLN 120 CO -0.17 -0.78 0.63 -3.47 -0.50 0.00 0.00 175.29 170.99 2dng n ASP 121 N 4.95 -1.37 -4.73 6.67 2.03 -1.26 -5.01 116.55 117.84 2dng n ASP 121 Ca 0.17 0.36 -0.31 0.00 0.52 0.00 0.00 54.79 55.52 2dng n ASP 121 Cb 0.37 -1.29 -0.07 0.00 -0.72 0.00 0.00 41.12 39.41 2dng n ASP 121 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2dng s LYS 122 N -3.93 2.77 0.38 -0.67 -0.14 -1.26 -5.13 119.74 111.75 2dng s LYS 122 Ca 0.60 -0.71 0.08 0.00 -1.36 0.00 0.00 55.97 54.58 2dng s LYS 122 Cb -0.22 -2.67 -0.07 0.00 -1.68 0.00 0.00 37.83 33.20 2dng s LYS 122 CO 0.65 0.57 -0.04 -1.12 -0.76 0.00 0.00 175.35 174.65 2dng s SER 123 N -2.16 3.81 -0.37 2.83 0.01 -1.26 -5.12 113.70 111.44 2dng s SER 123 Ca 0.26 -1.28 0.01 0.00 1.31 0.00 0.00 55.95 56.25 2dng s SER 123 Cb -0.12 -0.38 0.12 0.00 0.21 0.00 0.00 66.02 65.85 2dng s SER 123 CO 0.18 -0.33 0.16 -0.83 0.41 0.00 0.00 173.24 172.84 2dng s GLY 124 N -3.66 1.39 0.70 3.44 0.00 -1.26 -5.12 107.32 102.81 2dng s GLY 124 Ca 0.34 -2.14 -0.12 0.00 0.00 0.00 0.00 44.72 42.80 2dng s GLY 124 CO 0.17 1.55 1.07 2.56 0.00 0.00 0.00 173.10 178.46 2dng s PRO 125 N 0.99 2.76 0.42 2.90 0.04 -1.26 -5.04 135.00 135.81 2dng s PRO 125 Ca 0.14 1.09 -0.16 0.00 0.04 0.00 0.00 61.00 62.11 2dng s PRO 125 Cb -0.21 -1.96 -0.09 0.00 0.04 0.00 0.00 34.50 32.28 2dng s PRO 125 CO -0.12 -1.25 0.87 0.45 0.04 0.00 0.00 177.00 176.99 2dng s SER 126 N -3.43 6.71 0.02 6.66 0.15 -1.26 -5.08 113.70 117.47 2dng s SER 126 Ca 0.60 1.43 0.08 0.00 0.70 0.00 0.00 55.95 58.76 2dng s SER 126 Cb -0.16 -2.44 -0.02 0.00 -1.71 0.00 0.00 66.02 61.69 2dng s SER 126 CO 0.52 -0.40 -0.24 -0.44 1.20 0.00 0.00 173.24 173.88 2dng s SER 127 N -2.69 2.81 0.00 5.45 0.01 -1.26 -5.35 113.70 112.67 2dng s SER 127 Ca 0.57 -0.51 0.00 0.00 1.31 0.00 0.00 55.95 57.32 2dng s SER 127 Cb -0.10 -0.27 0.00 0.00 0.21 0.00 0.00 66.02 65.86 2dng s SER 127 CO 0.24 0.24 0.00 0.61 0.41 0.00 0.00 173.24 174.74