#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 3.60 -0.35 1.61 0.01 -1.26 -5.11 113.70 112.21 2dng s SER 27 Ca 0.00 -0.41 -0.03 0.00 1.31 0.00 0.00 55.95 56.82 2dng s SER 27 Cb 0.00 -0.56 0.07 0.00 0.21 0.00 0.00 66.02 65.74 2dng s SER 27 CO 0.00 0.29 0.10 -0.44 0.41 0.00 0.00 173.24 173.59 2dng s SER 28 N -1.10 5.12 0.00 2.44 0.01 -1.26 -4.98 113.70 113.93 2dng s SER 28 Ca 0.13 -1.51 0.00 0.00 1.31 0.00 0.00 55.95 55.88 2dng s SER 28 Cb -0.10 -1.79 0.00 0.00 0.21 0.00 0.00 66.02 64.34 2dng s SER 28 CO 0.02 -0.38 0.00 0.61 0.41 0.00 0.00 173.24 173.91 2dng n GLY 29 N 4.66 0.25 3.64 3.44 0.00 -1.26 -5.15 105.19 110.77 2dng n GLY 29 Ca -0.09 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.84 2dng n GLY 29 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dng s SER 30 N 0.39 -0.43 0.19 1.61 1.04 -1.26 -5.19 113.70 110.06 2dng s SER 30 Ca 0.00 0.82 -0.01 0.00 0.48 0.00 0.00 55.95 57.23 2dng s SER 30 Cb 0.00 0.85 -0.04 0.00 0.10 0.00 0.00 66.02 66.93 2dng s SER 30 CO 0.00 -0.14 0.14 -0.44 0.98 0.00 0.00 173.24 173.78 2dng s SER 31 N 0.27 0.16 0.00 7.02 0.01 -1.26 -5.07 113.70 114.83 2dng s SER 31 Ca 0.03 -1.35 0.00 0.00 1.31 0.00 0.00 55.95 55.94 2dng s SER 31 Cb -0.05 0.38 0.00 0.00 0.21 0.00 0.00 66.02 66.56 2dng s SER 31 CO -0.07 -0.84 0.00 0.61 0.41 0.00 0.00 173.24 173.35 2dng n GLY 32 N -0.25 -1.19 3.66 3.44 0.00 -1.26 -5.11 105.19 104.49 2dng n GLY 32 Ca 0.01 0.42 -0.41 0.00 0.00 0.00 0.00 46.02 46.04 2dng n GLY 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dng s LYS 33 N 0.00 4.26 0.99 1.61 1.02 -1.26 -5.02 119.74 121.33 2dng s LYS 33 Ca 0.00 0.89 -0.16 0.00 0.02 0.00 0.00 55.97 56.73 2dng s LYS 33 Cb 0.00 -3.58 -0.10 0.00 -0.52 0.00 0.00 37.83 33.63 2dng s LYS 33 CO 0.00 -0.32 -0.46 0.39 -0.92 0.00 0.00 175.35 174.03 2dng n GLU 34 N 5.27 -0.09 -4.32 1.68 4.71 -1.26 -4.99 120.64 121.64 2dng n GLU 34 Ca 0.03 -0.01 -0.27 0.00 -0.01 0.00 0.00 57.16 56.90 2dng n GLU 34 Cb 0.49 -1.25 -0.10 0.00 -1.01 0.00 0.00 31.44 29.57 2dng n GLU 34 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 2dng s LEU 35 N 5.34 2.87 0.12 -4.62 1.43 -1.26 -5.03 118.68 117.54 2dng s LEU 35 Ca 0.45 -0.63 -0.35 0.00 -1.03 0.00 0.00 54.13 52.57 2dng s LEU 35 Cb -0.19 -1.57 -0.16 0.00 0.03 0.00 0.00 46.19 44.31 2dng s LEU 35 CO 0.78 0.11 1.25 -2.65 0.23 0.00 0.00 176.35 176.06 2dng n PRO 36 N 0.08 1.12 0.05 1.29 -0.02 -1.26 -4.91 135.00 131.35 2dng n PRO 36 Ca -0.11 0.40 -0.23 0.00 -2.02 0.00 0.00 63.50 61.55 2dng n PRO 36 Cb 0.56 -1.97 -0.15 0.00 -0.02 0.00 0.00 33.50 31.92 2dng n PRO 36 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 2dng h THR 37 N 3.00 0.91 -3.88 3.45 2.02 -1.98 -3.48 112.91 112.94 2dng h THR 37 Ca -0.46 -2.46 -0.29 0.00 0.77 0.00 0.00 66.41 63.97 2dng h THR 37 Cb 1.34 2.72 -0.19 0.00 -1.74 0.00 0.00 68.15 70.28 2dng h THR 37 CO 0.74 0.84 -0.73 -1.83 0.37 0.00 0.00 175.52 174.90 2dng s GLU 38 N -2.56 0.69 0.87 6.66 1.03 -1.26 -5.16 118.70 118.97 2dng s GLU 38 Ca -0.18 -0.98 -0.12 0.00 0.03 0.00 0.00 54.97 53.72 2dng s GLU 38 Cb 0.05 -0.38 0.12 0.00 -0.80 0.00 0.00 34.13 33.12 2dng s GLU 38 CO 0.83 0.06 1.13 -1.25 -1.33 0.00 0.00 175.26 174.69 2dng s PRO 39 N -2.32 1.44 1.13 -4.83 0.04 -1.26 -4.71 135.00 124.49 2dng s PRO 39 Ca -0.01 0.35 -0.19 0.00 0.04 0.00 0.00 61.00 61.18 2dng s PRO 39 Cb -0.05 -1.87 0.28 0.00 0.04 0.00 0.00 34.50 32.90 2dng s PRO 39 CO -0.01 -2.00 1.01 -0.35 0.04 0.00 0.00 177.00 175.69 2dng n PRO 40 N -3.64 -2.99 -4.01 0.56 -0.04 -1.26 -5.13 135.00 118.49 2dng n PRO 40 Ca 0.07 -1.61 -0.31 0.00 -0.04 0.00 0.00 63.50 61.61 2dng n PRO 40 Cb 0.59 -1.51 -0.15 0.00 -0.04 0.00 0.00 33.50 32.39 2dng n PRO 40 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2dng s TYR 41 N -2.82 3.43 -0.02 0.54 2.02 -1.26 -5.03 117.35 114.20 2dng s TYR 41 Ca 0.65 -2.67 -0.01 0.00 -0.37 0.00 0.00 57.07 54.67 2dng s TYR 41 Cb -0.06 -2.49 -0.04 0.00 -0.40 0.00 0.00 41.96 38.96 2dng s TYR 41 CO 0.50 -0.92 0.10 0.99 -1.57 0.00 0.00 175.55 174.66 2dng s THR 42 N 1.03 4.91 0.04 -0.71 2.01 -1.26 -1.82 115.64 119.83 2dng s THR 42 Ca 0.04 -0.30 0.05 0.00 0.31 0.00 0.00 61.69 61.79 2dng s THR 42 Cb -0.19 -3.24 -0.02 0.00 0.01 0.00 0.00 72.50 69.06 2dng s THR 42 CO -0.08 0.38 -0.15 0.00 -0.69 0.00 0.00 174.62 174.08 2dng s ALA 43 N -1.19 1.26 -0.14 7.40 0.00 -0.19 -3.55 121.76 125.35 2dng s ALA 43 Ca 0.23 -0.85 -0.09 0.00 0.00 0.00 0.00 51.96 51.24 2dng s ALA 43 Cb -0.12 -0.21 -0.05 0.00 0.00 0.00 0.00 23.12 22.75 2dng s ALA 43 CO 0.13 0.25 0.17 -0.47 0.00 0.00 0.00 175.76 175.85 2dng s TYR 44 N -0.83 3.54 -0.14 0.00 6.14 -0.73 0.29 117.35 125.63 2dng s TYR 44 Ca 0.03 0.52 -0.02 0.00 0.64 0.00 0.00 57.07 58.23 2dng s TYR 44 Cb -0.08 -2.07 0.04 0.00 0.42 0.00 0.00 41.96 40.27 2dng s TYR 44 CO 0.01 0.55 0.02 0.08 0.64 0.00 0.00 175.55 176.85 2dng s VAL 45 N -0.47 0.49 0.50 3.14 1.01 0.66 -1.66 120.40 124.08 2dng s VAL 45 Ca 0.14 -0.26 0.01 0.00 0.00 0.00 0.00 61.98 61.87 2dng s VAL 45 Cb -0.12 -0.83 -0.01 0.00 0.00 0.00 0.00 36.38 35.41 2dng s VAL 45 CO 0.03 0.02 0.01 -0.83 0.00 0.00 0.00 175.10 174.32 2dng s GLY 46 N 1.90 3.00 -0.38 4.51 0.00 0.55 -0.87 107.32 116.02 2dng s GLY 46 Ca 0.02 -0.45 -0.02 0.00 0.00 0.00 0.00 44.72 44.28 2dng s GLY 46 CO -0.07 -2.18 0.33 -2.01 0.00 0.00 0.00 173.10 169.17 2dng n ASN 47 N -1.26 -2.81 -4.57 1.64 4.05 -1.25 -1.78 115.26 109.27 2dng n ASN 47 Ca -0.18 -0.17 -0.32 0.00 0.45 0.00 0.00 54.58 54.35 2dng n ASN 47 Cb 0.67 -1.86 -0.11 0.00 1.23 0.00 0.00 39.78 39.71 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 -3.03 3.09 1.03 1.20 1.43 -1.19 -4.03 118.68 117.17 2dng s LEU 48 Ca 0.11 -0.15 -0.17 0.00 -1.03 0.00 0.00 54.13 52.89 2dng s LEU 48 Cb -0.05 -1.74 0.01 0.00 0.03 0.00 0.00 46.19 44.44 2dng s LEU 48 CO 0.22 0.30 -0.13 -2.65 0.23 0.00 0.00 176.35 174.32 2dng n PRO 49 N 1.76 -0.71 0.04 1.29 -0.02 -1.26 -4.87 135.00 131.23 2dng n PRO 49 Ca -0.16 -0.19 -0.07 0.00 -2.02 0.00 0.00 63.50 61.06 2dng n PRO 49 Cb 0.53 -1.59 0.10 0.00 -0.02 0.00 0.00 33.50 32.52 2dng n PRO 49 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 2dng h PHE 50 N -1.61 0.51 -0.85 6.00 -1.00 -1.97 -3.20 116.94 114.81 2dng h PHE 50 Ca -0.47 -0.18 -0.44 0.00 2.81 0.00 0.00 57.97 59.69 2dng h PHE 50 Cb 1.33 -0.10 -0.16 0.00 3.61 0.00 0.00 35.95 40.63 2dng h PHE 50 CO 0.23 0.87 0.32 -1.71 -1.61 0.00 0.00 178.31 176.41 2dng n ASN 51 N -3.93 6.35 -4.38 2.17 4.05 -1.26 -4.89 115.26 113.37 2dng n ASN 51 Ca -0.03 -3.11 -0.35 0.00 0.45 0.00 0.00 54.58 51.54 2dng n ASN 51 Cb 0.60 -1.22 -0.13 0.00 1.23 0.00 0.00 39.78 40.26 2dng n ASN 51 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 2dng s THR 52 N -1.94 3.76 0.39 -0.44 2.01 -1.21 -5.06 115.64 113.16 2dng s THR 52 Ca 0.54 -0.36 0.08 0.00 0.31 0.00 0.00 61.69 62.26 2dng s THR 52 Cb 0.35 -2.72 -0.07 0.00 0.01 0.00 0.00 72.50 70.07 2dng s THR 52 CO -0.16 0.40 0.03 0.68 -0.69 0.00 0.00 174.62 174.88 2dng s VAL 53 N 1.40 2.17 0.15 3.82 -7.23 -1.26 -5.04 120.40 114.42 2dng s VAL 53 Ca 0.05 -1.97 -0.31 0.00 -1.81 0.00 0.00 61.98 57.93 2dng s VAL 53 Cb -0.15 -2.92 -0.08 0.00 0.56 0.00 0.00 36.38 33.80 2dng s VAL 53 CO -0.00 -0.06 1.55 -0.61 -0.31 0.00 0.00 175.10 175.67 2dng h GLN 54 N 1.75 -0.20 -0.52 4.82 4.15 -1.99 -2.01 115.11 121.11 2dng h GLN 54 Ca -0.43 0.01 0.05 0.00 0.77 0.00 0.00 58.65 59.05 2dng h GLN 54 Cb 1.25 0.05 -0.07 0.00 0.21 0.00 0.00 27.48 28.91 2dng h GLN 54 CO 0.75 -0.13 -0.42 0.78 -1.93 0.00 0.00 178.83 177.88 2dng h GLY 55 N -0.21 -1.31 -0.80 2.39 0.00 -1.98 -0.25 103.07 100.91 2dng h GLY 55 Ca 0.12 0.83 0.14 0.00 0.00 0.00 0.00 47.33 48.42 2dng h GLY 55 CO -0.76 -0.26 -0.27 1.34 0.00 0.00 0.00 176.54 176.58 2dng n ASP 56 N -4.66 -0.44 -0.14 0.19 -0.08 -0.77 0.12 116.55 110.77 2dng n ASP 56 Ca -0.01 1.39 -0.09 0.00 -1.51 0.00 0.00 54.79 54.58 2dng n ASP 56 Cb 0.22 -0.36 -0.00 0.00 2.34 0.00 0.00 41.12 43.32 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 1.17 -0.82 5.18 1.08 -0.92 -2.12 117.51 121.08 2dng h ILE 57 Ca 0.32 -0.49 0.24 0.00 -0.39 0.00 0.00 64.86 64.54 2dng h ILE 57 Cb 0.52 0.75 -0.03 0.00 -3.07 0.00 0.00 36.82 34.98 2dng h ILE 57 CO -0.81 0.19 0.59 -0.78 -0.69 0.00 0.00 178.15 176.65 2dng h ASP 58 N 0.52 0.01 0.07 1.72 1.82 0.23 -0.96 116.42 119.83 2dng h ASP 58 Ca 0.14 0.00 -0.09 0.00 -0.39 0.00 0.00 57.03 56.69 2dng h ASP 58 Cb 0.11 -0.00 0.01 0.00 0.68 0.00 0.00 39.33 40.13 2dng h ASP 58 CO -0.02 0.01 -0.41 0.00 -1.61 0.00 0.00 179.24 177.21 2dng h ALA 59 N 1.59 -0.04 -0.65 -0.78 0.00 -0.62 -2.60 119.26 116.15 2dng h ALA 59 Ca 0.39 -0.60 0.14 0.00 0.00 0.00 0.00 54.91 54.84 2dng h ALA 59 Cb 1.56 0.05 -0.10 0.00 0.00 0.00 0.00 17.79 19.29 2dng h ALA 59 CO -0.01 0.19 0.07 0.82 0.00 0.00 0.00 179.25 180.32 2dng h ILE 60 N -0.68 0.52 -0.83 0.00 2.04 -0.62 -0.17 117.51 117.77 2dng h ILE 60 Ca -0.07 -0.06 -0.51 0.00 1.00 0.00 0.00 64.86 65.22 2dng h ILE 60 Cb 1.32 0.32 -0.27 0.00 -0.74 0.00 0.00 36.82 37.44 2dng h ILE 60 CO 0.08 0.03 0.40 0.49 0.00 0.00 0.00 178.15 179.15 2dng n PHE 61 N -5.22 2.66 0.10 1.37 3.72 -0.83 -4.63 117.46 114.63 2dng n PHE 61 Ca 0.10 -2.25 0.05 0.00 -0.05 0.00 0.00 57.45 55.31 2dng n PHE 61 Cb 0.38 -0.95 0.50 0.00 -0.94 0.00 0.00 39.48 38.47 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 1.48 0.32 -0.53 -1.08 2.10 -0.60 -2.15 116.57 116.12 2dng h LYS 62 Ca 0.51 -0.02 -0.07 0.00 -2.00 0.00 0.00 60.65 59.07 2dng h LYS 62 Cb 1.75 -0.07 -0.02 0.00 -0.90 0.00 0.00 32.23 32.99 2dng h LYS 62 CO 1.08 0.23 0.06 0.22 -2.00 0.00 0.00 179.45 179.04 2dng h ASP 63 N 0.33 0.86 -4.31 7.07 1.82 -1.82 -3.44 116.42 116.93 2dng h ASP 63 Ca 0.09 -0.28 -0.49 0.00 -0.39 0.00 0.00 57.03 55.96 2dng h ASP 63 Cb -0.01 -0.23 0.07 0.00 0.68 0.00 0.00 39.33 39.83 2dng h ASP 63 CO -0.02 0.92 0.37 -0.76 -1.61 0.00 0.00 179.24 178.15 2dng s LEU 64 N -9.47 3.06 -0.67 2.28 1.43 -0.81 -4.99 118.68 109.50 2dng s LEU 64 Ca -0.12 1.15 -0.26 0.00 -1.03 0.00 0.00 54.13 53.86 2dng s LEU 64 Cb 0.12 -4.02 0.04 0.00 0.03 0.00 0.00 46.19 42.36 2dng s LEU 64 CO 0.82 -1.15 1.15 -0.94 0.23 0.00 0.00 176.35 176.45 2dng s SER 65 N -4.30 6.23 -0.36 2.29 1.04 -1.26 -4.98 113.70 112.36 2dng s SER 65 Ca 0.56 -0.50 -0.21 0.00 0.48 0.00 0.00 55.95 56.29 2dng s SER 65 Cb -0.11 -2.51 0.01 0.00 0.10 0.00 0.00 66.02 63.51 2dng s SER 65 CO 0.51 -1.62 0.67 -0.63 0.98 0.00 0.00 173.24 173.15 2dng s ILE 66 N 4.99 4.85 -0.05 -1.02 1.01 -1.26 -1.86 121.20 127.86 2dng s ILE 66 Ca 0.32 0.61 -0.02 0.00 0.00 0.00 0.00 60.65 61.56 2dng s ILE 66 Cb -0.11 -4.11 -0.01 0.00 0.01 0.00 0.00 42.46 38.24 2dng s ILE 66 CO 0.16 -0.36 0.11 -0.09 0.00 0.00 0.00 174.94 174.75 2dng h ARG 67 N 8.50 -0.06 -2.87 2.79 2.43 -1.40 -3.46 114.38 120.31 2dng h ARG 67 Ca -0.26 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 58.77 2dng h ARG 67 Cb 1.11 0.01 -0.26 0.00 -0.42 0.00 0.00 29.97 30.41 2dng h ARG 67 CO 0.86 -0.04 -0.33 -1.12 -1.51 0.00 0.00 179.97 177.82 2dng s SER 68 N -4.38 -0.38 -0.27 -3.80 0.01 -1.23 -5.02 113.70 98.64 2dng s SER 68 Ca -0.01 0.71 -0.07 0.00 1.31 0.00 0.00 55.95 57.89 2dng s SER 68 Cb 0.00 0.68 -0.01 0.00 0.21 0.00 0.00 66.02 66.90 2dng s SER 68 CO 0.03 -0.14 0.08 -0.69 0.41 0.00 0.00 173.24 172.93 2dng s VAL 69 N 0.55 4.20 -0.25 3.43 1.01 -1.26 -0.76 120.40 127.32 2dng s VAL 69 Ca -0.03 -0.40 -0.09 0.00 0.00 0.00 0.00 61.98 61.46 2dng s VAL 69 Cb -0.05 -3.06 -0.04 0.00 0.00 0.00 0.00 36.38 33.24 2dng s VAL 69 CO -0.03 0.21 0.12 -0.13 0.00 0.00 0.00 175.10 175.27 2dng s ARG 70 N 1.57 3.85 -0.38 2.72 0.52 -0.07 -5.01 118.95 122.15 2dng s ARG 70 Ca 0.05 -0.38 -0.10 0.00 -0.52 0.00 0.00 55.73 54.77 2dng s ARG 70 Cb -0.16 -3.43 0.04 0.00 0.52 0.00 0.00 34.95 31.92 2dng s ARG 70 CO 0.03 -0.08 0.21 -0.51 0.02 0.00 0.00 175.30 174.97 2dng s LEU 71 N 1.38 4.78 0.77 2.53 1.43 -1.26 -1.13 118.68 127.18 2dng s LEU 71 Ca 0.06 -1.12 -0.15 0.00 -1.03 0.00 0.00 54.13 51.88 2dng s LEU 71 Cb -0.15 -2.00 -0.01 0.00 0.03 0.00 0.00 46.19 44.06 2dng s LEU 71 CO 0.06 -0.42 0.60 0.52 0.23 0.00 0.00 176.35 177.34 2dng n VAL 72 N 4.96 1.62 -3.66 -1.59 0.31 -1.25 -5.03 118.33 113.70 2dng n VAL 72 Ca -0.12 -0.35 -0.15 0.00 -0.01 0.00 0.00 64.34 63.72 2dng n VAL 72 Cb 0.45 -0.79 -0.08 0.00 -0.91 0.00 0.00 33.84 32.51 2dng n VAL 72 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 2dng s ARG 73 N -3.06 0.75 1.15 5.55 3.52 -1.26 -4.10 118.95 121.51 2dng s ARG 73 Ca 0.65 0.51 -0.14 0.00 -0.13 0.00 0.00 55.73 56.62 2dng s ARG 73 Cb -0.32 0.36 0.24 0.00 -1.56 0.00 0.00 34.95 33.67 2dng s ARG 73 CO 0.58 -0.15 0.81 -0.25 -0.81 0.00 0.00 175.30 175.48 2dng n ASP 74 N 2.10 -1.80 0.02 -2.12 8.00 -1.21 -4.86 116.55 116.68 2dng n ASP 74 Ca -0.16 -0.12 -0.02 0.00 0.71 0.00 0.00 54.79 55.20 2dng n ASP 74 Cb 0.56 -1.21 -0.09 0.00 -0.02 0.00 0.00 41.12 40.36 2dng n ASP 74 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 2dng n LYS 75 N -4.31 0.62 -0.02 -1.24 4.81 -1.26 -3.51 118.16 113.25 2dng n LYS 75 Ca 0.03 0.24 -0.06 0.00 -0.87 0.00 0.00 58.31 57.65 2dng n LYS 75 Cb 0.55 -1.81 -0.02 0.00 0.02 0.00 0.00 35.03 33.77 2dng n LYS 75 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 2dng n ASP 76 N -2.92 0.79 0.25 3.14 2.03 -1.26 -4.67 116.55 113.90 2dng n ASP 76 Ca -0.11 0.12 0.16 0.00 0.52 0.00 0.00 54.79 55.49 2dng n ASP 76 Cb 0.88 -0.29 0.60 0.00 -0.72 0.00 0.00 41.12 41.58 2dng n ASP 76 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 2dng h THR 77 N -0.27 0.00 -6.88 5.18 1.35 -1.98 -3.46 112.91 106.86 2dng h THR 77 Ca -0.13 -0.52 -0.54 0.00 -0.55 0.00 0.00 66.41 64.68 2dng h THR 77 Cb 0.87 1.48 -0.14 0.00 -1.73 0.00 0.00 68.15 68.62 2dng h THR 77 CO -0.08 0.00 -0.86 -0.90 -0.25 0.00 0.00 175.52 173.44 2dng n ASP 78 N -2.95 -0.23 -4.28 5.36 5.75 -1.23 -4.87 116.55 114.10 2dng n ASP 78 Ca 0.01 -1.12 -0.23 0.00 -0.01 0.00 0.00 54.79 53.44 2dng n ASP 78 Cb 0.32 -1.38 -0.12 0.00 -1.03 0.00 0.00 41.12 38.90 2dng n ASP 78 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 2dng s LYS 79 N -6.92 1.12 -0.29 0.11 0.00 -1.26 -4.74 119.74 107.75 2dng s LYS 79 Ca 0.11 -1.17 -0.35 0.00 0.00 0.00 0.00 55.97 54.55 2dng s LYS 79 Cb -0.06 -1.33 -0.12 0.00 0.00 0.00 0.00 37.83 36.32 2dng s LYS 79 CO 0.87 0.30 2.08 0.34 0.00 0.00 0.00 175.35 178.94 2dng n PHE 80 N 1.01 1.80 0.28 1.78 7.35 -1.26 -3.36 117.46 125.06 2dng n PHE 80 Ca -0.19 0.24 -0.15 0.00 -0.76 0.00 0.00 57.45 56.59 2dng n PHE 80 Cb 0.54 -2.56 -0.08 0.00 0.35 0.00 0.00 39.48 37.73 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 11.33 -0.68 0.00 -4.13 1.79 -1.96 -3.48 116.57 119.45 2dng h LYS 81 Ca -0.34 0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.18 2dng h LYS 81 Cb 1.31 0.15 0.00 0.00 -1.58 0.00 0.00 32.23 32.11 2dng h LYS 81 CO 1.00 -0.38 0.00 0.41 -1.08 0.00 0.00 179.45 179.39 2dng n GLY 82 N -0.86 0.32 3.63 3.86 0.00 -1.26 -5.10 105.19 105.79 2dng n GLY 82 Ca -0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.62 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 2.44 0.14 1.61 -0.71 -1.26 -3.20 117.98 117.00 2dng s PHE 83 Ca 0.00 -0.70 -0.24 0.00 -1.04 0.00 0.00 56.93 54.95 2dng s PHE 83 Cb 0.00 -1.76 0.07 0.00 -1.21 0.00 0.00 43.02 40.12 2dng s PHE 83 CO 0.00 0.42 0.60 0.00 -1.34 0.00 0.00 175.22 174.90 2dng s TYR 85 N -3.48 3.05 -0.23 0.00 1.51 -0.28 -0.24 117.35 117.68 2dng s TYR 85 Ca -0.00 -0.52 -0.08 0.00 -1.01 0.00 0.00 57.07 55.46 2dng s TYR 85 Cb -0.01 -2.17 -0.04 0.00 -0.11 0.00 0.00 41.96 39.63 2dng s TYR 85 CO -0.11 -0.36 0.09 0.08 -1.11 0.00 0.00 175.55 174.15 2dng s VAL 86 N 1.42 4.66 0.10 0.71 1.01 0.15 -0.89 120.40 127.55 2dng s VAL 86 Ca 0.05 -0.06 -0.11 0.00 0.00 0.00 0.00 61.98 61.86 2dng s VAL 86 Cb -0.15 -3.16 -0.06 0.00 0.00 0.00 0.00 36.38 33.01 2dng s VAL 86 CO 0.02 0.36 0.43 -0.70 0.00 0.00 0.00 175.10 175.21 2dng s GLU 87 N 1.21 3.80 0.24 2.72 2.12 0.06 -1.02 118.70 127.83 2dng s GLU 87 Ca 0.05 0.23 0.11 0.00 0.36 0.00 0.00 54.97 55.73 2dng s GLU 87 Cb -0.14 -2.98 -0.05 0.00 0.26 0.00 0.00 34.13 31.22 2dng s GLU 87 CO 0.04 0.54 -0.20 -0.06 -0.54 0.00 0.00 175.26 175.04 2dng s PHE 88 N -1.42 2.34 -0.04 5.30 0.08 -0.75 -1.14 117.98 122.34 2dng s PHE 88 Ca 0.34 -0.33 -0.16 0.00 0.12 0.00 0.00 56.93 56.91 2dng s PHE 88 Cb -0.14 -1.08 -0.10 0.00 -0.57 0.00 0.00 43.02 41.13 2dng s PHE 88 CO 0.18 0.61 0.66 -0.44 -0.10 0.00 0.00 175.22 176.13 2dng h ASP 89 N 2.68 -0.37 -1.60 1.36 5.19 -1.69 -3.39 116.42 118.60 2dng h ASP 89 Ca -0.43 -0.07 -0.48 0.00 -0.62 0.00 0.00 57.03 55.42 2dng h ASP 89 Cb 1.23 0.10 -0.02 0.00 0.18 0.00 0.00 39.33 40.82 2dng h ASP 89 CO 0.55 0.09 -0.38 -1.61 -3.12 0.00 0.00 179.24 174.77 2dng s GLU 90 N -3.27 2.65 0.27 3.56 2.02 -1.26 -4.85 118.70 117.82 2dng s GLU 90 Ca -0.09 -1.41 0.05 0.00 0.02 0.00 0.00 54.97 53.54 2dng s GLU 90 Cb 0.01 -2.48 0.37 0.00 0.10 0.00 0.00 34.13 32.12 2dng s GLU 90 CO 0.28 -0.12 1.65 -0.24 0.02 0.00 0.00 175.26 176.85 2dng h VAL 91 N 1.02 1.33 0.37 2.63 3.04 -1.98 -3.28 116.25 119.38 2dng h VAL 91 Ca -0.42 -1.67 -0.01 0.00 -1.01 0.00 0.00 66.70 63.59 2dng h VAL 91 Cb 1.26 1.77 -0.02 0.00 -2.01 0.00 0.00 31.29 32.29 2dng h VAL 91 CO 0.56 0.50 -0.41 -0.78 -1.01 0.00 0.00 177.57 176.42 2dng h ASP 92 N 0.22 -1.15 -0.89 3.17 1.82 -1.99 -0.53 116.42 117.07 2dng h ASP 92 Ca 0.01 0.10 0.14 0.00 -0.39 0.00 0.00 57.03 56.89 2dng h ASP 92 Cb 0.92 0.39 -0.15 0.00 0.68 0.00 0.00 39.33 41.16 2dng h ASP 92 CO 0.07 -0.53 -0.33 -1.20 -1.61 0.00 0.00 179.24 175.65 2dng n SER 93 N -4.90 -0.53 0.21 2.28 7.64 -1.24 -0.14 113.62 116.94 2dng n SER 93 Ca -0.09 1.55 -0.15 0.00 1.01 0.00 0.00 58.87 61.18 2dng n SER 93 Cb 0.37 -0.37 -0.08 0.00 -1.01 0.00 0.00 64.21 63.11 2dng n SER 93 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2dng h LEU 94 N 0.00 -0.40 -0.83 -3.43 5.85 -1.60 -1.59 115.31 113.31 2dng h LEU 94 Ca 0.33 0.00 0.21 0.00 0.84 0.00 0.00 57.88 59.26 2dng h LEU 94 Cb 0.55 0.10 -0.14 0.00 0.37 0.00 0.00 40.66 41.55 2dng h LEU 94 CO -0.89 -0.27 0.13 0.11 -0.34 0.00 0.00 178.44 177.18 2dng h LYS 95 N -0.50 0.15 -0.17 1.25 1.57 0.11 0.83 116.57 119.82 2dng h LYS 95 Ca -0.05 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 2dng h LYS 95 Cb 0.38 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 2dng h LYS 95 CO 0.08 0.10 0.03 1.49 -0.57 0.00 0.00 179.45 180.58 2dng h GLU 96 N 0.16 0.28 -0.50 3.15 4.57 -0.79 -2.65 114.58 118.80 2dng h GLU 96 Ca 0.50 -0.07 0.15 0.00 -1.18 0.00 0.00 59.36 58.75 2dng h GLU 96 Cb 0.95 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.49 2dng h GLU 96 CO -0.67 0.44 0.42 0.00 -1.18 0.00 0.00 179.01 178.02 2dng h ALA 97 N 0.82 2.35 -0.03 2.92 0.00 0.13 0.19 119.26 125.64 2dng h ALA 97 Ca 0.05 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.95 2dng h ALA 97 Cb 0.30 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 2dng h ALA 97 CO 0.00 -0.68 0.04 -0.07 0.00 0.00 0.00 179.25 178.54 2dng h LEU 98 N 0.00 0.00 -0.07 0.00 3.38 -0.85 -1.66 115.31 116.11 2dng h LEU 98 Ca 0.24 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.96 2dng h LEU 98 Cb 1.08 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.85 2dng h LEU 98 CO -0.00 0.00 -0.91 0.71 0.09 0.00 0.00 178.44 178.33 2dng h THR 99 N 0.00 1.28 -0.21 0.22 1.35 -0.74 -3.14 112.91 111.67 2dng h THR 99 Ca 0.02 -2.11 0.06 0.00 -0.55 0.00 0.00 66.41 63.83 2dng h THR 99 Cb 0.09 2.20 -0.01 0.00 -1.73 0.00 0.00 68.15 68.70 2dng h THR 99 CO -0.00 0.66 0.76 1.88 -0.25 0.00 0.00 175.52 178.57 2dng h TYR 100 N 0.45 0.00 -0.66 4.73 -1.99 -1.38 -3.38 116.97 114.75 2dng h TYR 100 Ca -0.09 0.00 -0.16 0.00 2.00 0.00 0.00 58.73 60.48 2dng h TYR 100 Cb 1.56 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 40.28 2dng h TYR 100 CO 0.10 0.00 0.61 -0.40 -0.00 0.00 0.00 178.16 178.46 2dng n ASP 101 N -2.88 1.73 0.00 3.88 5.75 -1.19 -0.94 116.55 122.90 2dng n ASP 101 Ca 0.04 -1.14 0.00 0.00 -0.01 0.00 0.00 54.79 53.68 2dng n ASP 101 Cb 0.84 -1.57 0.00 0.00 -1.03 0.00 0.00 41.12 39.36 2dng n ASP 101 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2dng n GLY 102 N 6.52 0.70 3.91 6.12 0.00 -1.25 -4.99 105.19 116.19 2dng n GLY 102 Ca 0.46 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.21 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 3.14 -0.12 4.61 0.00 -0.12 -4.93 121.76 124.34 2dng s ALA 103 Ca 0.00 -0.66 -0.02 0.00 0.00 0.00 0.00 51.96 51.28 2dng s ALA 103 Cb 0.00 -2.72 -0.03 0.00 0.00 0.00 0.00 23.12 20.38 2dng s ALA 103 CO 0.00 -1.03 -0.06 -0.51 0.00 0.00 0.00 175.76 174.16 2dng s LEU 104 N -5.16 3.17 -0.79 0.00 1.43 -1.26 -1.94 118.68 114.13 2dng s LEU 104 Ca 0.57 -0.11 -0.11 0.00 -1.03 0.00 0.00 54.13 53.44 2dng s LEU 104 Cb -0.11 -1.73 0.21 0.00 0.03 0.00 0.00 46.19 44.59 2dng s LEU 104 CO 0.47 0.24 0.70 -0.22 0.23 0.00 0.00 176.35 177.77 2dng s LEU 105 N -0.07 6.43 0.00 1.79 2.96 0.16 -4.91 118.68 125.04 2dng s LEU 105 Ca 0.01 -2.74 0.00 0.00 -0.22 0.00 0.00 54.13 51.18 2dng s LEU 105 Cb -0.13 -2.13 0.00 0.00 0.50 0.00 0.00 46.19 44.43 2dng s LEU 105 CO 0.03 -0.52 0.00 0.61 -1.32 0.00 0.00 176.35 175.14 2dng n GLY 106 N 3.84 1.72 1.46 7.98 0.00 -1.26 -1.53 105.19 117.41 2dng n GLY 106 Ca 0.13 0.14 0.10 0.00 0.00 0.00 0.00 46.02 46.39 2dng n GLY 106 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2dng n ASP 107 N 11.01 4.29 -3.00 1.61 8.00 -1.26 -4.95 116.55 132.25 2dng n ASP 107 Ca 0.00 -2.23 -0.17 0.00 0.71 0.00 0.00 54.79 53.09 2dng n ASP 107 Cb 0.00 -0.53 -0.06 0.00 -0.02 0.00 0.00 41.12 40.51 2dng n ASP 107 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2dng n ARG 108 N 1.34 0.44 -4.18 -1.24 5.12 -0.58 -5.10 116.66 112.46 2dng n ARG 108 Ca 0.25 -2.69 -0.24 0.00 -1.93 0.00 0.00 57.85 53.24 2dng n ARG 108 Cb 0.75 1.93 -0.07 0.00 -1.16 0.00 0.00 32.46 33.90 2dng n ARG 108 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 2dng s SER 109 N -2.91 4.42 -0.04 0.55 0.01 -1.26 0.36 113.70 114.84 2dng s SER 109 Ca 0.26 -0.98 0.04 0.00 1.31 0.00 0.00 55.95 56.58 2dng s SER 109 Cb 0.01 -0.56 -0.03 0.00 0.21 0.00 0.00 66.02 65.66 2dng s SER 109 CO 0.19 -0.40 -0.15 -0.76 0.41 0.00 0.00 173.24 172.52 2dng s LEU 110 N -3.84 2.70 -0.31 2.44 1.43 -0.82 -4.42 118.68 115.86 2dng s LEU 110 Ca 0.39 -0.22 -0.02 0.00 -1.03 0.00 0.00 54.13 53.25 2dng s LEU 110 Cb 0.01 -1.55 0.10 0.00 0.03 0.00 0.00 46.19 44.79 2dng s LEU 110 CO 0.22 0.34 0.12 -0.60 0.23 0.00 0.00 176.35 176.65 2dng s ARG 111 N -0.78 0.58 -0.10 1.70 6.06 -0.73 -3.89 118.95 121.79 2dng s ARG 111 Ca 0.12 -0.97 -0.02 0.00 -2.50 0.00 0.00 55.73 52.36 2dng s ARG 111 Cb -0.11 -1.74 -0.03 0.00 0.06 0.00 0.00 34.95 33.14 2dng s ARG 111 CO 0.01 -1.01 -0.03 0.08 -2.50 0.00 0.00 175.30 171.84 2dng s VAL 112 N 1.68 3.99 0.08 7.11 1.01 -1.26 -0.33 120.40 132.68 2dng s VAL 112 Ca 0.10 -0.35 -0.12 0.00 0.00 0.00 0.00 61.98 61.61 2dng s VAL 112 Cb -0.17 -2.69 0.01 0.00 0.00 0.00 0.00 36.38 33.54 2dng s VAL 112 CO -0.27 0.57 0.28 -0.62 0.00 0.00 0.00 175.10 175.06 2dng s ASP 113 N -0.46 -0.05 -0.28 3.32 2.15 -0.66 -4.75 116.67 115.94 2dng s ASP 113 Ca 0.07 -0.42 -0.29 0.00 0.43 0.00 0.00 52.55 52.35 2dng s ASP 113 Cb -0.12 0.38 -0.02 0.00 -0.30 0.00 0.00 42.92 42.85 2dng s ASP 113 CO 0.02 -0.73 1.77 -0.63 -0.17 0.00 0.00 175.17 175.44 2dng s ILE 114 N -3.44 3.50 -0.60 4.11 1.01 -1.26 -1.77 121.20 122.75 2dng s ILE 114 Ca 0.01 0.53 -0.28 0.00 0.00 0.00 0.00 60.65 60.91 2dng s ILE 114 Cb 0.02 -3.61 0.03 0.00 0.01 0.00 0.00 42.46 38.92 2dng s ILE 114 CO -0.09 -0.34 1.19 0.00 0.00 0.00 0.00 174.94 175.70 2dng s ALA 115 N 6.37 2.98 0.70 9.38 0.00 -1.23 -4.86 121.76 135.09 2dng s ALA 115 Ca 0.79 -0.90 -0.17 0.00 0.00 0.00 0.00 51.96 51.68 2dng s ALA 115 Cb -0.24 -4.05 -0.11 0.00 0.00 0.00 0.00 23.12 18.72 2dng s ALA 115 CO 0.33 -2.72 -0.05 0.39 0.00 0.00 0.00 175.76 173.71 2dng n GLU 116 N 8.50 0.11 -3.44 0.00 1.02 -1.26 -4.70 120.64 120.88 2dng n GLU 116 Ca 0.08 0.05 -0.38 0.00 -0.02 0.00 0.00 57.16 56.89 2dng n GLU 116 Cb 0.49 -1.30 -0.07 0.00 -0.02 0.00 0.00 31.44 30.54 2dng n GLU 116 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2dng s GLY 117 N -1.17 2.14 -1.18 0.62 0.00 -1.26 -5.00 107.32 101.47 2dng s GLY 117 Ca 0.56 -0.50 -0.12 0.00 0.00 0.00 0.00 44.72 44.65 2dng s GLY 117 CO 0.67 0.69 1.34 -1.60 0.00 0.00 0.00 173.10 174.19 2dng s ARG 118 N 1.02 4.12 0.51 2.90 3.00 -1.26 -5.01 118.95 124.23 2dng s ARG 118 Ca 0.18 -2.77 -0.07 0.00 -1.00 0.00 0.00 55.73 52.07 2dng s ARG 118 Cb -0.14 -4.91 -0.04 0.00 0.00 0.00 0.00 34.95 29.86 2dng s ARG 118 CO 0.07 -1.61 0.85 0.21 0.00 0.00 0.00 175.30 174.82 2dng s LYS 119 N 0.74 3.58 0.11 5.12 2.20 -1.26 -5.10 119.74 125.13 2dng s LYS 119 Ca 0.39 0.37 0.05 0.00 -0.36 0.00 0.00 55.97 56.42 2dng s LYS 119 Cb -0.05 -2.30 -0.04 0.00 -1.51 0.00 0.00 37.83 33.93 2dng s LYS 119 CO -0.02 -0.28 -0.13 -1.14 -0.36 0.00 0.00 175.35 173.41 2dng s GLN 120 N -4.76 0.95 0.12 4.03 0.74 -1.26 -5.16 119.66 114.31 2dng s GLN 120 Ca 0.50 -1.16 0.05 0.00 0.05 0.00 0.00 55.36 54.79 2dng s GLN 120 Cb -0.10 -0.82 -0.04 0.00 1.10 0.00 0.00 33.01 33.15 2dng s GLN 120 CO 0.46 0.16 -0.12 0.34 -0.55 0.00 0.00 175.29 175.57 2dng s ASP 121 N -2.30 1.80 0.63 6.67 2.15 -1.26 -5.16 116.67 119.20 2dng s ASP 121 Ca 0.06 -0.84 -0.02 0.00 0.43 0.00 0.00 52.55 52.18 2dng s ASP 121 Cb -0.06 -0.04 0.05 0.00 -0.30 0.00 0.00 42.92 42.58 2dng s ASP 121 CO 0.02 -0.20 0.89 -1.59 -0.17 0.00 0.00 175.17 174.12 2dng s LYS 122 N -2.84 2.33 0.22 4.34 0.00 -1.26 -5.12 119.74 117.41 2dng s LYS 122 Ca 0.09 -0.61 0.01 0.00 0.00 0.00 0.00 55.97 55.46 2dng s LYS 122 Cb -0.03 -2.35 -0.04 0.00 0.00 0.00 0.00 37.83 35.41 2dng s LYS 122 CO 0.02 -0.98 0.16 -1.54 0.00 0.00 0.00 175.35 173.00 2dng s SER 123 N -4.49 0.45 1.08 0.03 1.04 -1.26 -5.15 113.70 105.40 2dng s SER 123 Ca 0.59 -1.46 -0.20 0.00 0.48 0.00 0.00 55.95 55.37 2dng s SER 123 Cb -0.10 0.41 0.06 0.00 0.10 0.00 0.00 66.02 66.49 2dng s SER 123 CO 0.41 -0.88 -0.25 0.61 0.98 0.00 0.00 173.24 174.11 2dng n GLY 124 N -0.34 -2.59 3.78 7.32 0.00 -1.26 -4.92 105.19 107.18 2dng n GLY 124 Ca 0.03 -0.66 -0.37 0.00 0.00 0.00 0.00 46.02 45.02 2dng n GLY 124 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dng s PRO 125 N -3.16 3.99 0.51 1.61 0.04 -1.26 -5.06 135.00 131.66 2dng s PRO 125 Ca 0.49 1.63 0.08 0.00 0.04 0.00 0.00 61.00 63.24 2dng s PRO 125 Cb -0.06 -2.49 0.04 0.00 0.04 0.00 0.00 34.50 32.03 2dng s PRO 125 CO 0.60 -0.32 0.56 -1.54 0.04 0.00 0.00 177.00 176.34 2dng s SER 126 N -1.47 5.04 -1.44 6.66 1.04 -1.26 -4.62 113.70 117.65 2dng s SER 126 Ca 0.60 -0.87 -0.10 0.00 0.48 0.00 0.00 55.95 56.06 2dng s SER 126 Cb -0.25 -0.01 0.05 0.00 0.10 0.00 0.00 66.02 65.91 2dng s SER 126 CO 0.31 -1.03 0.98 -0.24 0.98 0.00 0.00 173.24 174.24 2dng n SER 127 N -1.89 -4.42 0.00 7.02 2.88 -1.26 -5.31 113.62 110.63 2dng n SER 127 Ca 0.07 -0.73 0.00 0.00 -1.33 0.00 0.00 58.87 56.88 2dng n SER 127 Cb 0.62 -4.23 0.00 0.00 -0.75 0.00 0.00 64.21 59.85 2dng n SER 127 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42