#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dng n SER 27 N 0.00 3.63 -4.51 1.61 3.41 -1.26 -4.97 113.62 111.53 2dng n SER 27 Ca 0.00 -2.67 -0.34 0.00 -0.26 0.00 0.00 58.87 55.61 2dng n SER 27 Cb 0.00 -0.45 -0.12 0.00 -0.26 0.00 0.00 64.21 63.38 2dng n SER 27 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2dng s SER 28 N -1.58 4.71 0.00 4.04 0.01 -1.26 -4.96 113.70 114.67 2dng s SER 28 Ca 0.36 -0.11 0.00 0.00 1.31 0.00 0.00 55.95 57.51 2dng s SER 28 Cb 0.27 -1.63 0.00 0.00 0.21 0.00 0.00 66.02 64.87 2dng s SER 28 CO 0.12 0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.60 2dng n GLY 29 N 3.19 0.00 1.02 3.44 0.00 -1.26 -5.00 105.19 106.58 2dng n GLY 29 Ca -0.18 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.84 2dng n GLY 29 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dng n SER 30 N -1.85 0.69 -4.83 1.61 7.64 -1.26 -5.06 113.62 110.56 2dng n SER 30 Ca 0.00 0.09 -0.35 0.00 1.01 0.00 0.00 58.87 59.62 2dng n SER 30 Cb 0.13 -0.21 -0.06 0.00 -1.01 0.00 0.00 64.21 63.06 2dng n SER 30 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dng s SER 31 N -5.61 6.92 0.00 6.43 1.04 -1.26 -4.83 113.70 116.39 2dng s SER 31 Ca -0.00 1.30 0.00 0.00 0.48 0.00 0.00 55.95 57.73 2dng s SER 31 Cb 0.00 -2.38 0.00 0.00 0.10 0.00 0.00 66.02 63.74 2dng s SER 31 CO 0.00 -0.03 0.00 0.61 0.98 0.00 0.00 173.24 174.81 2dng n GLY 32 N 0.39 0.00 3.50 7.32 0.00 -1.26 -4.83 105.19 110.30 2dng n GLY 32 Ca -0.01 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.54 2dng n GLY 32 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2dng n LYS 33 N -2.17 1.29 -1.08 1.61 4.76 -1.26 -4.81 118.16 116.50 2dng n LYS 33 Ca 0.00 0.33 -0.39 0.00 -2.87 0.00 0.00 58.31 55.38 2dng n LYS 33 Cb 0.02 -2.73 -0.03 0.00 -1.84 0.00 0.00 35.03 30.44 2dng n LYS 33 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 2dng n GLU 34 N 8.44 0.00 -2.05 1.97 2.13 -1.26 -4.87 120.64 125.00 2dng n GLU 34 Ca 0.39 0.00 -0.33 0.00 0.66 0.00 0.00 57.16 57.88 2dng n GLU 34 Cb 0.31 -0.88 0.01 0.00 0.27 0.00 0.00 31.44 31.16 2dng n GLU 34 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2dng s LEU 35 N 1.53 3.51 -0.28 4.31 1.43 -1.26 -4.91 118.68 123.00 2dng s LEU 35 Ca 0.55 1.84 -0.38 0.00 -1.03 0.00 0.00 54.13 55.11 2dng s LEU 35 Cb -0.78 -4.54 -0.14 0.00 0.03 0.00 0.00 46.19 40.76 2dng s LEU 35 CO 0.42 -1.18 1.89 -2.65 0.23 0.00 0.00 176.35 175.06 2dng n PRO 36 N -2.00 1.23 -0.35 1.29 -0.02 -1.26 -4.81 135.00 129.08 2dng n PRO 36 Ca 0.09 0.43 0.24 0.00 -2.02 0.00 0.00 63.50 62.24 2dng n PRO 36 Cb 0.53 -2.24 0.49 0.00 -0.02 0.00 0.00 33.50 32.25 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 5.78 0.35 -3.60 3.45 1.35 -1.98 -3.42 112.91 114.85 2dng h THR 37 Ca -0.41 -0.12 -0.11 0.00 -0.55 0.00 0.00 66.41 65.22 2dng h THR 37 Cb 1.32 -0.03 -0.17 0.00 -1.73 0.00 0.00 68.15 67.54 2dng h THR 37 CO 0.98 0.06 -0.40 -1.61 -0.25 0.00 0.00 175.52 174.30 2dng s GLU 38 N -5.61 0.70 1.05 4.72 0.41 -1.26 -5.17 118.70 113.54 2dng s GLU 38 Ca -0.10 -0.67 -0.13 0.00 -0.41 0.00 0.00 54.97 53.67 2dng s GLU 38 Cb 0.29 0.29 0.22 0.00 -1.78 0.00 0.00 34.13 33.15 2dng s GLU 38 CO 0.80 -0.20 1.08 -1.25 -0.49 0.00 0.00 175.26 175.19 2dng s PRO 39 N -2.69 0.00 0.77 0.39 0.04 -1.26 -4.69 135.00 127.56 2dng s PRO 39 Ca -0.04 0.58 -0.11 0.00 0.04 0.00 0.00 61.00 61.47 2dng s PRO 39 Cb -0.01 -1.68 0.06 0.00 0.04 0.00 0.00 34.50 32.91 2dng s PRO 39 CO -0.05 -3.04 1.09 -1.25 0.04 0.00 0.00 177.00 173.80 2dng s PRO 40 N -4.84 2.26 -0.99 0.56 0.04 -1.26 -5.10 135.00 125.68 2dng s PRO 40 Ca 0.66 1.18 -0.10 0.00 0.04 0.00 0.00 61.00 62.78 2dng s PRO 40 Cb -0.20 -1.90 0.25 0.00 0.04 0.00 0.00 34.50 32.69 2dng s PRO 40 CO 0.59 -1.64 0.96 0.71 0.04 0.00 0.00 177.00 177.67 2dng s TYR 41 N -2.88 4.06 0.20 0.56 2.02 -1.26 -5.02 117.35 115.04 2dng s TYR 41 Ca 0.61 -2.47 -0.03 0.00 -0.37 0.00 0.00 57.07 54.82 2dng s TYR 41 Cb -0.17 -3.79 -0.05 0.00 -0.40 0.00 0.00 41.96 37.55 2dng s TYR 41 CO 0.55 -0.95 0.42 0.99 -1.57 0.00 0.00 175.55 174.99 2dng s THR 42 N -0.75 5.16 0.08 -0.71 2.01 -1.26 -1.56 115.64 118.61 2dng s THR 42 Ca 0.26 -0.15 0.04 0.00 0.31 0.00 0.00 61.69 62.14 2dng s THR 42 Cb -0.10 -3.70 -0.03 0.00 0.01 0.00 0.00 72.50 68.68 2dng s THR 42 CO -0.08 -0.13 -0.12 0.00 -0.69 0.00 0.00 174.62 173.60 2dng s ALA 43 N -1.84 1.04 -0.21 7.40 0.00 0.10 -3.85 121.76 124.41 2dng s ALA 43 Ca 0.40 -1.02 -0.09 0.00 0.00 0.00 0.00 51.96 51.25 2dng s ALA 43 Cb -0.11 -0.03 -0.05 0.00 0.00 0.00 0.00 23.12 22.94 2dng s ALA 43 CO 0.28 0.06 0.11 -0.47 0.00 0.00 0.00 175.76 175.73 2dng s TYR 44 N -1.71 3.30 -0.22 0.00 5.04 -0.09 -0.55 117.35 123.14 2dng s TYR 44 Ca -0.01 0.16 -0.00 0.00 -2.44 0.00 0.00 57.07 54.78 2dng s TYR 44 Cb -0.07 -2.16 0.06 0.00 0.35 0.00 0.00 41.96 40.13 2dng s TYR 44 CO 0.01 0.14 -0.03 0.08 -1.34 0.00 0.00 175.55 174.42 2dng s VAL 45 N 0.61 1.22 0.18 3.14 1.01 -0.09 -1.91 120.40 124.56 2dng s VAL 45 Ca 0.06 -1.00 0.01 0.00 0.00 0.00 0.00 61.98 61.05 2dng s VAL 45 Cb -0.12 -1.55 -0.00 0.00 0.00 0.00 0.00 36.38 34.70 2dng s VAL 45 CO 0.01 -0.12 0.04 0.61 0.00 0.00 0.00 175.10 175.65 2dng n GLY 46 N 4.79 3.79 2.24 4.51 0.00 -0.20 -0.84 105.19 119.48 2dng n GLY 46 Ca -0.11 -2.08 -0.09 0.00 0.00 0.00 0.00 46.02 43.74 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 -1.63 -2.31 -4.26 1.61 5.15 -1.23 -1.85 115.26 110.74 2dng n ASN 47 Ca -0.04 -0.30 -0.27 0.00 -0.60 0.00 0.00 54.58 53.36 2dng n ASN 47 Cb 0.26 -2.77 -0.15 0.00 -0.53 0.00 0.00 39.78 36.60 2dng n ASN 47 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2dng s LEU 48 N -4.13 2.11 0.93 1.20 1.43 -1.15 -4.28 118.68 114.79 2dng s LEU 48 Ca 0.04 -0.48 -0.14 0.00 -1.03 0.00 0.00 54.13 52.52 2dng s LEU 48 Cb -0.02 -1.10 -0.02 0.00 0.03 0.00 0.00 46.19 45.09 2dng s LEU 48 CO 0.36 0.22 0.11 -2.65 0.23 0.00 0.00 176.35 174.62 2dng n PRO 49 N 2.13 -0.15 0.00 1.29 -0.02 -1.26 -4.70 135.00 132.29 2dng n PRO 49 Ca -0.16 -0.01 0.08 0.00 -2.02 0.00 0.00 63.50 61.39 2dng n PRO 49 Cb 0.53 -1.63 0.41 0.00 -0.02 0.00 0.00 33.50 32.78 2dng n PRO 49 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2dng n PHE 50 N -3.16 0.00 0.20 6.00 -0.00 -1.26 -1.96 117.46 117.28 2dng n PHE 50 Ca 0.05 0.00 0.10 0.00 -0.00 0.00 0.00 57.45 57.60 2dng n PHE 50 Cb 0.54 -0.32 0.27 0.00 -0.00 0.00 0.00 39.48 39.97 2dng n PHE 50 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.76 175.05 2dng n ASN 51 N -1.32 3.17 -4.65 -2.13 5.15 -1.26 -4.79 115.26 109.42 2dng n ASN 51 Ca 0.07 -1.98 -0.41 0.00 -0.60 0.00 0.00 54.58 51.67 2dng n ASN 51 Cb 0.14 -0.36 -0.05 0.00 -0.53 0.00 0.00 39.78 38.99 2dng n ASN 51 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2dng s THR 52 N -1.29 4.91 0.37 -0.44 2.01 -0.83 -5.00 115.64 115.38 2dng s THR 52 Ca 0.40 1.42 0.05 0.00 0.31 0.00 0.00 61.69 63.87 2dng s THR 52 Cb 0.21 -4.05 -0.07 0.00 0.01 0.00 0.00 72.50 68.60 2dng s THR 52 CO 0.28 0.01 0.04 0.68 -0.69 0.00 0.00 174.62 174.94 2dng s VAL 53 N 2.40 1.57 0.26 3.82 -7.23 -1.26 -4.91 120.40 115.04 2dng s VAL 53 Ca 0.33 -2.00 -0.12 0.00 -1.81 0.00 0.00 61.98 58.38 2dng s VAL 53 Cb -0.16 -2.88 0.36 0.00 0.56 0.00 0.00 36.38 34.27 2dng s VAL 53 CO 0.09 0.00 1.57 -0.61 -0.31 0.00 0.00 175.10 175.84 2dng h GLN 54 N 1.93 -0.01 -0.79 4.82 4.15 -1.99 0.47 115.11 123.70 2dng h GLN 54 Ca -0.42 0.00 0.16 0.00 0.77 0.00 0.00 58.65 59.16 2dng h GLN 54 Cb 1.24 0.00 -0.10 0.00 0.21 0.00 0.00 27.48 28.83 2dng h GLN 54 CO 0.75 -0.01 0.31 0.78 -1.93 0.00 0.00 178.83 178.73 2dng h GLY 55 N -0.01 1.22 0.61 2.39 0.00 -1.99 -1.17 103.07 104.13 2dng h GLY 55 Ca 0.42 -0.14 -0.03 0.00 0.00 0.00 0.00 47.33 47.57 2dng h GLY 55 CO -0.96 -0.14 -0.30 -0.55 0.00 0.00 0.00 176.54 174.59 2dng h ASP 56 N 0.42 -0.71 -0.83 0.19 3.32 -0.46 -0.94 116.42 117.42 2dng h ASP 56 Ca 0.45 0.02 0.20 0.00 0.02 0.00 0.00 57.03 57.72 2dng h ASP 56 Cb 0.72 0.18 -0.15 0.00 0.22 0.00 0.00 39.33 40.31 2dng h ASP 56 CO -0.44 -0.50 0.03 0.40 -1.72 0.00 0.00 179.24 177.01 2dng h ILE 57 N -0.83 0.26 -0.92 0.35 1.08 -1.15 0.49 117.51 116.79 2dng h ILE 57 Ca -0.08 -0.03 0.01 0.00 -0.39 0.00 0.00 64.86 64.36 2dng h ILE 57 Cb 0.63 0.15 -0.05 0.00 -3.07 0.00 0.00 36.82 34.49 2dng h ILE 57 CO 0.14 0.02 0.60 -0.78 -0.69 0.00 0.00 178.15 177.44 2dng h ASP 58 N 0.10 1.06 -0.63 1.72 1.82 -1.11 -2.34 116.42 117.04 2dng h ASP 58 Ca 0.47 -0.03 -0.09 0.00 -0.39 0.00 0.00 57.03 56.99 2dng h ASP 58 Cb 0.88 -0.27 -0.02 0.00 0.68 0.00 0.00 39.33 40.60 2dng h ASP 58 CO -0.73 0.78 0.03 0.00 -1.61 0.00 0.00 179.24 177.71 2dng h ALA 59 N 1.33 0.86 0.72 -0.78 0.00 0.13 0.14 119.26 121.66 2dng h ALA 59 Ca 0.34 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2dng h ALA 59 Cb -0.13 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.42 2dng h ALA 59 CO -0.07 0.67 -0.43 0.82 0.00 0.00 0.00 179.25 180.24 2dng h ILE 60 N 1.00 0.14 -0.65 0.00 2.04 -0.42 -2.73 117.51 116.88 2dng h ILE 60 Ca 0.18 0.00 -0.29 0.00 1.00 0.00 0.00 64.86 65.75 2dng h ILE 60 Cb 0.53 0.14 -0.17 0.00 -0.74 0.00 0.00 36.82 36.57 2dng h ILE 60 CO 0.03 0.00 0.37 0.49 0.00 0.00 0.00 178.15 179.03 2dng n PHE 61 N -5.57 2.07 0.14 1.37 3.72 -0.93 -4.53 117.46 113.73 2dng n PHE 61 Ca -0.14 -1.26 -0.13 0.00 -0.05 0.00 0.00 57.45 55.87 2dng n PHE 61 Cb 0.45 -0.68 -0.06 0.00 -0.94 0.00 0.00 39.48 38.25 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 1.23 -0.42 -1.12 -1.08 2.10 -0.39 -2.05 116.57 114.85 2dng h LYS 62 Ca 0.36 0.03 0.34 0.00 -2.00 0.00 0.00 60.65 59.37 2dng h LYS 62 Cb 2.18 0.10 -0.12 0.00 -0.90 0.00 0.00 32.23 33.49 2dng h LYS 62 CO 0.70 -0.28 0.69 -0.44 -2.00 0.00 0.00 179.45 178.12 2dng h ASP 63 N -0.44 0.41 -3.30 7.07 5.19 -1.81 -3.41 116.42 120.13 2dng h ASP 63 Ca 0.00 0.14 -0.24 0.00 -0.62 0.00 0.00 57.03 56.31 2dng h ASP 63 Cb 0.42 0.09 0.09 0.00 0.18 0.00 0.00 39.33 40.11 2dng h ASP 63 CO -0.06 -0.07 0.19 0.18 -3.12 0.00 0.00 179.24 176.36 2dng n LEU 64 N -4.79 0.00 -4.37 1.55 4.77 -0.77 -5.04 117.00 108.35 2dng n LEU 64 Ca 0.31 -0.86 -0.42 0.00 -0.03 0.00 0.00 56.01 55.01 2dng n LEU 64 Cb 1.09 -0.51 -0.10 0.00 -2.33 0.00 0.00 43.42 41.57 2dng n LEU 64 CO 0.18 -0.96 -0.07 -0.44 -1.33 0.00 0.00 177.39 174.76 2dng s SER 65 N -3.55 5.90 -0.45 -1.43 0.01 -1.26 -5.03 113.70 107.89 2dng s SER 65 Ca 0.40 -1.19 -0.13 0.00 1.31 0.00 0.00 55.95 56.34 2dng s SER 65 Cb -0.01 -2.09 0.08 0.00 0.21 0.00 0.00 66.02 64.21 2dng s SER 65 CO 0.28 -0.51 0.34 -0.63 0.41 0.00 0.00 173.24 173.13 2dng s ILE 66 N 1.57 4.78 0.05 1.44 1.01 -1.26 -3.48 121.20 125.31 2dng s ILE 66 Ca 0.03 -1.23 -0.24 0.00 0.00 0.00 0.00 60.65 59.21 2dng s ILE 66 Cb -0.21 -3.89 -0.16 0.00 0.01 0.00 0.00 42.46 38.20 2dng s ILE 66 CO 0.06 -0.56 1.55 -0.09 0.00 0.00 0.00 174.94 175.90 2dng h ARG 67 N 8.60 0.05 -2.45 2.79 2.43 -1.79 -3.47 114.38 120.54 2dng h ARG 67 Ca -0.26 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 58.93 2dng h ARG 67 Cb 1.10 -0.01 -0.15 0.00 -0.42 0.00 0.00 29.97 30.49 2dng h ARG 67 CO 0.83 0.24 0.34 0.45 -1.51 0.00 0.00 179.97 180.32 2dng s SER 68 N -5.44 -0.49 -0.05 -3.80 0.15 -1.25 -5.02 113.70 97.78 2dng s SER 68 Ca -0.14 0.15 0.02 0.00 0.70 0.00 0.00 55.95 56.68 2dng s SER 68 Cb 0.05 0.49 0.01 0.00 -1.71 0.00 0.00 66.02 64.85 2dng s SER 68 CO 0.67 -0.73 -0.11 -0.69 1.20 0.00 0.00 173.24 173.58 2dng s VAL 69 N -2.89 1.05 -0.36 4.45 1.01 -1.26 -0.07 120.40 122.33 2dng s VAL 69 Ca 0.00 -0.45 -0.04 0.00 0.00 0.00 0.00 61.98 61.49 2dng s VAL 69 Cb -0.01 -0.96 0.07 0.00 0.00 0.00 0.00 36.38 35.48 2dng s VAL 69 CO -0.07 0.33 0.13 -0.13 0.00 0.00 0.00 175.10 175.37 2dng s ARG 70 N 0.56 2.35 -0.03 2.72 0.52 0.09 -5.01 118.95 120.14 2dng s ARG 70 Ca -0.12 -1.47 -0.19 0.00 -0.52 0.00 0.00 55.73 53.44 2dng s ARG 70 Cb -0.14 -3.47 -0.05 0.00 0.52 0.00 0.00 34.95 31.81 2dng s ARG 70 CO 0.03 -0.83 0.55 -0.51 0.02 0.00 0.00 175.30 174.55 2dng s LEU 71 N 1.27 4.39 -0.22 2.53 1.43 -1.26 -1.59 118.68 125.23 2dng s LEU 71 Ca 0.01 1.06 -0.10 0.00 -1.03 0.00 0.00 54.13 54.07 2dng s LEU 71 Cb -0.21 -2.83 -0.05 0.00 0.03 0.00 0.00 46.19 43.13 2dng s LEU 71 CO -0.01 0.11 0.15 -0.69 0.23 0.00 0.00 176.35 176.14 2dng s VAL 72 N -0.13 5.38 0.07 -1.59 1.01 -1.24 -5.03 120.40 118.86 2dng s VAL 72 Ca 0.29 0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.47 2dng s VAL 72 Cb -0.17 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.68 2dng s VAL 72 CO 0.15 0.38 -0.05 0.00 0.00 0.00 0.00 175.10 175.58 2dng s ARG 73 N 0.80 0.66 0.77 2.72 3.03 -1.26 -1.09 118.95 124.59 2dng s ARG 73 Ca 0.08 -1.18 -0.12 0.00 2.03 0.00 0.00 55.73 56.54 2dng s ARG 73 Cb -0.13 0.00 0.19 0.00 -1.03 0.00 0.00 34.95 33.98 2dng s ARG 73 CO 0.02 -0.06 0.42 -3.47 -1.13 0.00 0.00 175.30 171.09 2dng n ASP 74 N 0.29 -2.94 -0.08 -2.89 2.03 -0.88 -4.80 116.55 107.27 2dng n ASP 74 Ca -0.15 -0.43 -0.15 0.00 0.52 0.00 0.00 54.79 54.58 2dng n ASP 74 Cb 0.60 -0.54 -0.07 0.00 -0.72 0.00 0.00 41.12 40.39 2dng n ASP 74 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 2dng n LYS 75 N -3.24 0.39 0.04 -0.67 4.81 -1.26 -3.44 118.16 114.78 2dng n LYS 75 Ca 0.07 0.13 -0.12 0.00 -0.87 0.00 0.00 58.31 57.51 2dng n LYS 75 Cb 0.29 -1.22 -0.09 0.00 0.02 0.00 0.00 35.03 34.03 2dng n LYS 75 CO 0.00 0.00 0.00 0.22 1.17 0.00 0.00 177.40 178.79 2dng h ASP 76 N -0.31 -0.13 0.46 3.14 3.58 -2.01 -3.35 116.42 117.79 2dng h ASP 76 Ca -0.40 -0.41 -0.30 0.00 0.42 0.00 0.00 57.03 56.34 2dng h ASP 76 Cb 1.48 0.03 -0.04 0.00 1.72 0.00 0.00 39.33 42.52 2dng h ASP 76 CO -0.16 0.39 -1.69 0.71 -2.88 0.00 0.00 179.24 175.61 2dng h THR 77 N -0.72 0.91 -3.87 2.25 1.35 -1.99 -3.48 112.91 107.36 2dng h THR 77 Ca -0.02 -2.70 -0.32 0.00 -0.55 0.00 0.00 66.41 62.83 2dng h THR 77 Cb 0.53 2.51 0.06 0.00 -1.73 0.00 0.00 68.15 69.53 2dng h THR 77 CO 0.03 0.64 -0.49 -0.67 -0.25 0.00 0.00 175.52 174.78 2dng n ASP 78 N -3.20 -5.22 -4.92 5.36 2.03 -1.22 -4.95 116.55 104.43 2dng n ASP 78 Ca -0.18 -0.27 -0.29 0.00 0.52 0.00 0.00 54.79 54.57 2dng n ASP 78 Cb 1.04 -4.00 -0.04 0.00 -0.72 0.00 0.00 41.12 37.40 2dng n ASP 78 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2dng s LYS 79 N -5.58 3.41 -0.22 -0.67 -0.14 -1.26 -4.65 119.74 110.63 2dng s LYS 79 Ca 0.29 -0.52 -0.34 0.00 -1.36 0.00 0.00 55.97 54.04 2dng s LYS 79 Cb -0.13 -2.99 -0.11 0.00 -1.68 0.00 0.00 37.83 32.92 2dng s LYS 79 CO 0.36 0.57 2.06 0.34 -0.76 0.00 0.00 175.35 177.91 2dng n PHE 80 N -0.05 1.97 -0.04 3.18 7.35 -1.26 -2.07 117.46 126.54 2dng n PHE 80 Ca -0.06 0.11 -0.10 0.00 -0.76 0.00 0.00 57.45 56.64 2dng n PHE 80 Cb 0.52 -2.62 -0.04 0.00 0.35 0.00 0.00 39.48 37.70 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 11.41 0.23 0.00 -4.13 1.79 -1.45 -3.47 116.57 120.95 2dng h LYS 81 Ca -0.39 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.07 2dng h LYS 81 Cb 1.29 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.89 2dng h LYS 81 CO 0.98 0.15 0.00 0.41 -1.08 0.00 0.00 179.45 179.91 2dng n GLY 82 N -1.15 0.89 3.35 3.86 0.00 -1.26 -4.98 105.19 105.91 2dng n GLY 82 Ca -0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.71 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 2.17 0.33 1.61 -0.12 -1.26 -2.94 117.98 117.77 2dng s PHE 83 Ca 0.00 -0.39 -0.02 0.00 -0.05 0.00 0.00 56.93 56.47 2dng s PHE 83 Cb 0.00 -1.20 -0.00 0.00 -0.63 0.00 0.00 43.02 41.19 2dng s PHE 83 CO 0.00 0.27 0.44 0.00 -0.05 0.00 0.00 175.22 175.88 2dng s TYR 85 N -3.18 1.82 -0.13 0.00 1.51 -0.62 -0.91 117.35 115.83 2dng s TYR 85 Ca 0.31 -0.81 -0.04 0.00 -1.01 0.00 0.00 57.07 55.51 2dng s TYR 85 Cb 0.00 -1.33 -0.03 0.00 -0.11 0.00 0.00 41.96 40.49 2dng s TYR 85 CO 0.20 -0.43 0.02 0.08 -1.11 0.00 0.00 175.55 174.32 2dng s VAL 86 N 0.93 4.46 0.03 0.71 1.01 0.29 -0.73 120.40 127.10 2dng s VAL 86 Ca -0.08 -0.17 -0.05 0.00 0.00 0.00 0.00 61.98 61.67 2dng s VAL 86 Cb -0.15 -2.94 -0.05 0.00 0.00 0.00 0.00 36.38 33.24 2dng s VAL 86 CO -0.00 0.54 0.27 -0.70 0.00 0.00 0.00 175.10 175.20 2dng s GLU 87 N -0.23 3.56 -0.06 2.72 2.56 0.89 0.00 118.70 128.14 2dng s GLU 87 Ca 0.06 -0.14 0.03 0.00 0.00 0.00 0.00 54.97 54.93 2dng s GLU 87 Cb -0.12 -3.05 0.00 0.00 2.00 0.00 0.00 34.13 32.96 2dng s GLU 87 CO 0.02 0.62 -0.16 -0.06 -0.56 0.00 0.00 175.26 175.12 2dng s PHE 88 N -1.37 1.77 0.07 5.30 0.08 -0.60 -2.30 117.98 120.92 2dng s PHE 88 Ca 0.30 -0.62 -0.27 0.00 0.12 0.00 0.00 56.93 56.46 2dng s PHE 88 Cb -0.13 -1.22 -0.17 0.00 -0.57 0.00 0.00 43.02 40.93 2dng s PHE 88 CO 0.19 -0.26 1.61 0.22 -0.10 0.00 0.00 175.22 176.87 2dng h ASP 89 N 6.64 -0.35 -3.50 1.36 3.58 -1.85 -3.35 116.42 118.96 2dng h ASP 89 Ca -0.29 -0.03 -0.66 0.00 0.42 0.00 0.00 57.03 56.46 2dng h ASP 89 Cb 1.19 0.09 -0.15 0.00 1.72 0.00 0.00 39.33 42.18 2dng h ASP 89 CO 0.47 -0.20 -0.73 -1.61 -2.88 0.00 0.00 179.24 174.30 2dng s GLU 90 N -5.84 2.16 0.33 0.28 2.02 -1.26 -4.82 118.70 111.56 2dng s GLU 90 Ca -0.15 -1.03 0.02 0.00 0.02 0.00 0.00 54.97 53.83 2dng s GLU 90 Cb 0.04 -2.32 0.59 0.00 0.10 0.00 0.00 34.13 32.55 2dng s GLU 90 CO 0.63 0.50 1.96 -0.24 0.02 0.00 0.00 175.26 178.13 2dng h VAL 91 N 3.17 1.11 -0.41 2.63 3.04 -1.94 -3.03 116.25 120.82 2dng h VAL 91 Ca -0.49 -0.32 0.04 0.00 -1.01 0.00 0.00 66.70 64.92 2dng h VAL 91 Cb 1.17 0.09 -0.06 0.00 -2.01 0.00 0.00 31.29 30.48 2dng h VAL 91 CO 0.53 0.17 -0.39 0.44 -1.01 0.00 0.00 177.57 177.31 2dng h ASP 92 N 0.94 -1.33 -0.58 3.17 3.32 -1.98 -0.01 116.42 119.94 2dng h ASP 92 Ca 0.31 0.19 0.06 0.00 0.02 0.00 0.00 57.03 57.61 2dng h ASP 92 Cb 0.07 0.56 -0.09 0.00 0.22 0.00 0.00 39.33 40.10 2dng h ASP 92 CO -0.09 -0.23 -0.50 0.28 -1.72 0.00 0.00 179.24 176.97 2dng h SER 93 N -0.18 -1.76 -0.26 6.45 0.02 -1.92 -1.66 113.55 114.24 2dng h SER 93 Ca 0.07 0.25 0.04 0.00 -0.84 0.00 0.00 61.79 61.30 2dng h SER 93 Cb 0.36 0.75 -0.07 0.00 0.14 0.00 0.00 62.40 63.58 2dng h SER 93 CO -0.48 -0.29 -0.50 0.25 -1.14 0.00 0.00 176.83 174.67 2dng h LEU 94 N -0.20 -1.64 -1.20 5.07 5.85 -1.45 0.42 115.31 122.16 2dng h LEU 94 Ca 0.10 0.21 0.42 0.00 0.84 0.00 0.00 57.88 59.45 2dng h LEU 94 Cb 0.45 0.66 -0.15 0.00 0.37 0.00 0.00 40.66 41.99 2dng h LEU 94 CO -0.65 -0.40 0.70 0.50 -0.34 0.00 0.00 178.44 178.25 2dng h LYS 95 N -0.43 0.07 0.16 1.25 3.64 -0.19 1.12 116.57 122.19 2dng h LYS 95 Ca 0.05 -0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 59.13 2dng h LYS 95 Cb 0.57 -0.02 0.01 0.00 -0.41 0.00 0.00 32.23 32.39 2dng h LYS 95 CO -0.48 0.05 -1.33 1.49 -2.27 0.00 0.00 179.45 176.90 2dng h GLU 96 N 0.07 0.33 0.00 1.90 4.57 0.11 -3.22 114.58 118.35 2dng h GLU 96 Ca 0.83 -0.57 0.00 0.00 -1.18 0.00 0.00 59.36 58.44 2dng h GLU 96 Cb 2.38 0.21 0.00 0.00 -0.16 0.00 0.00 28.75 31.18 2dng h GLU 96 CO -0.58 1.26 0.00 0.00 -1.18 0.00 0.00 179.01 178.51 2dng h ALA 97 N 0.47 1.00 0.00 2.92 0.00 0.53 -1.68 119.26 122.51 2dng h ALA 97 Ca -0.18 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 2dng h ALA 97 Cb 2.02 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.80 2dng h ALA 97 CO 0.22 0.00 -0.40 -0.07 0.00 0.00 0.00 179.25 179.00 2dng h LEU 98 N 0.00 0.00 -2.72 0.00 3.38 -1.05 -3.18 115.31 111.73 2dng h LEU 98 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2dng h LEU 98 Cb 0.22 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 2dng h LEU 98 CO 0.00 0.40 0.04 0.71 0.09 0.00 0.00 178.44 179.68 2dng h THR 99 N 0.00 0.17 0.00 0.22 1.35 -1.44 -0.04 112.91 113.17 2dng h THR 99 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 2dng h THR 99 Cb 1.24 0.96 0.00 0.00 -1.73 0.00 0.00 68.15 68.62 2dng h THR 99 CO 0.05 0.00 0.00 -1.22 -0.25 0.00 0.00 175.52 174.10 2dng n TYR 100 N -3.32 0.00 -2.10 4.73 4.02 -1.20 -4.61 117.16 114.67 2dng n TYR 100 Ca -0.03 0.00 -0.37 0.00 -0.01 0.00 0.00 57.90 57.49 2dng n TYR 100 Cb 0.12 -0.11 -0.03 0.00 -0.02 0.00 0.00 39.34 39.29 2dng n TYR 100 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 176.86 176.01 2dng s ASP 101 N -2.22 5.36 0.00 7.72 -4.77 -0.03 -2.04 116.67 120.69 2dng s ASP 101 Ca 0.18 0.06 0.00 0.00 -3.30 0.00 0.00 52.55 49.50 2dng s ASP 101 Cb 0.10 -2.54 0.00 0.00 -1.09 0.00 0.00 42.92 39.39 2dng s ASP 101 CO 0.18 -2.37 0.00 0.61 0.70 0.00 0.00 175.17 174.30 2dng n GLY 102 N 5.87 1.05 3.93 2.12 0.00 -1.26 -5.04 105.19 111.86 2dng n GLY 102 Ca 0.22 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.87 3.43 -0.11 4.61 0.00 -0.86 -4.97 121.76 121.99 2dng s ALA 103 Ca 0.00 -0.83 -0.00 0.00 0.00 0.00 0.00 51.96 51.13 2dng s ALA 103 Cb 0.00 -2.47 -0.02 0.00 0.00 0.00 0.00 23.12 20.63 2dng s ALA 103 CO 0.00 -0.74 -0.09 -0.51 0.00 0.00 0.00 175.76 174.42 2dng s LEU 104 N -4.90 2.97 -0.62 0.00 1.43 -1.26 -2.31 118.68 113.98 2dng s LEU 104 Ca 0.53 -0.18 -0.07 0.00 -1.03 0.00 0.00 54.13 53.39 2dng s LEU 104 Cb -0.10 -1.66 0.16 0.00 0.03 0.00 0.00 46.19 44.61 2dng s LEU 104 CO 0.43 0.25 0.48 -0.22 0.23 0.00 0.00 176.35 177.52 2dng s LEU 105 N -0.14 5.69 0.00 1.79 2.96 0.11 -4.92 118.68 124.16 2dng s LEU 105 Ca 0.01 -2.55 0.00 0.00 -0.22 0.00 0.00 54.13 51.37 2dng s LEU 105 Cb -0.13 -1.97 0.00 0.00 0.50 0.00 0.00 46.19 44.59 2dng s LEU 105 CO 0.03 -0.50 0.00 0.61 -1.32 0.00 0.00 176.35 175.17 2dng n GLY 106 N 4.00 2.50 1.94 7.98 0.00 -1.26 -1.63 105.19 118.71 2dng n GLY 106 Ca 0.05 0.11 0.04 0.00 0.00 0.00 0.00 46.02 46.21 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 10.32 5.59 -2.67 1.61 9.92 -1.26 -4.95 116.55 135.11 2dng n ASP 107 Ca 0.00 -3.00 -0.13 0.00 -0.53 0.00 0.00 54.79 51.12 2dng n ASP 107 Cb 0.00 -0.70 -0.04 0.00 -0.64 0.00 0.00 41.12 39.74 2dng n ASP 107 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2dng n ARG 108 N 0.46 0.47 -3.89 -1.24 5.12 -0.65 -5.11 116.66 111.82 2dng n ARG 108 Ca 0.31 -2.41 -0.24 0.00 -1.93 0.00 0.00 57.85 53.58 2dng n ARG 108 Cb 1.25 2.18 -0.04 0.00 -1.16 0.00 0.00 32.46 34.69 2dng n ARG 108 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2dng s SER 109 N -2.79 4.68 0.02 0.55 0.15 -1.26 0.03 113.70 115.09 2dng s SER 109 Ca 0.27 -1.01 0.07 0.00 0.70 0.00 0.00 55.95 55.98 2dng s SER 109 Cb 0.00 -0.30 -0.03 0.00 -1.71 0.00 0.00 66.02 63.98 2dng s SER 109 CO 0.19 -0.71 -0.21 -0.76 1.20 0.00 0.00 173.24 172.95 2dng s LEU 110 N -4.06 2.40 -0.30 3.45 1.43 -0.98 -4.49 118.68 116.13 2dng s LEU 110 Ca 0.41 -0.46 0.00 0.00 -1.03 0.00 0.00 54.13 53.06 2dng s LEU 110 Cb 0.00 -1.42 0.09 0.00 0.03 0.00 0.00 46.19 44.89 2dng s LEU 110 CO 0.24 0.28 0.06 -0.60 0.23 0.00 0.00 176.35 176.56 2dng s ARG 111 N -1.17 1.00 -0.11 1.70 3.00 -0.77 -4.26 118.95 118.34 2dng s ARG 111 Ca 0.13 -1.21 0.02 0.00 -1.00 0.00 0.00 55.73 53.67 2dng s ARG 111 Cb -0.10 -2.35 -0.01 0.00 0.00 0.00 0.00 34.95 32.48 2dng s ARG 111 CO 0.03 -0.90 -0.17 0.08 0.00 0.00 0.00 175.30 174.33 2dng s VAL 112 N 1.44 2.67 0.17 7.11 1.01 -1.26 -1.03 120.40 130.51 2dng s VAL 112 Ca 0.07 -0.81 -0.16 0.00 0.00 0.00 0.00 61.98 61.09 2dng s VAL 112 Cb -0.18 -2.08 0.02 0.00 0.00 0.00 0.00 36.38 34.14 2dng s VAL 112 CO -0.18 0.54 0.44 -0.62 0.00 0.00 0.00 175.10 175.29 2dng s ASP 113 N 0.24 -0.20 -0.27 3.32 2.15 -0.80 -4.75 116.67 116.36 2dng s ASP 113 Ca -0.12 -0.49 -0.25 0.00 0.43 0.00 0.00 52.55 52.13 2dng s ASP 113 Cb -0.16 0.52 -0.00 0.00 -0.30 0.00 0.00 42.92 42.98 2dng s ASP 113 CO 0.06 -0.96 0.85 -0.63 -0.17 0.00 0.00 175.17 174.32 2dng s ILE 114 N -3.86 4.79 -1.20 4.11 1.01 -1.26 -0.91 121.20 123.87 2dng s ILE 114 Ca 0.08 1.51 -0.22 0.00 0.00 0.00 0.00 60.65 62.02 2dng s ILE 114 Cb 0.01 -4.16 -0.06 0.00 0.01 0.00 0.00 42.46 38.25 2dng s ILE 114 CO -0.05 -0.16 1.90 0.00 0.00 0.00 0.00 174.94 176.62 2dng n ALA 115 N 6.16 2.23 -1.24 9.38 0.00 -1.25 -4.89 120.51 130.89 2dng n ALA 115 Ca 0.06 -3.20 -0.37 0.00 0.00 0.00 0.00 53.44 49.93 2dng n ALA 115 Cb 0.48 -3.51 0.04 0.00 0.00 0.00 0.00 19.45 16.45 2dng n ALA 115 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2dng n GLU 116 N 8.24 0.17 -2.12 0.00 -0.58 -1.26 -4.93 120.64 120.16 2dng n GLU 116 Ca 0.46 0.07 -0.04 0.00 -0.42 0.00 0.00 57.16 57.24 2dng n GLU 116 Cb 0.46 -1.37 -0.01 0.00 -0.57 0.00 0.00 31.44 29.96 2dng n GLU 116 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2dng n GLY 117 N 2.28 3.68 3.09 0.62 0.00 -1.26 -5.11 105.19 108.49 2dng n GLY 117 Ca 0.08 -2.21 -0.37 0.00 0.00 0.00 0.00 46.02 43.52 2dng n GLY 117 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2dng n ARG 118 N -0.36 -0.39 -3.53 1.61 0.00 -1.26 -5.03 116.66 107.71 2dng n ARG 118 Ca -0.02 -0.11 -0.16 0.00 -0.00 0.00 0.00 57.85 57.57 2dng n ARG 118 Cb 0.08 -1.21 -0.05 0.00 -0.00 0.00 0.00 32.46 31.27 2dng n ARG 118 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.63 176.04 2dng s LYS 119 N -2.43 1.06 0.95 2.89 -2.85 -1.26 -5.18 119.74 112.93 2dng s LYS 119 Ca 0.43 -0.00 -0.15 0.00 -1.00 0.00 0.00 55.97 55.24 2dng s LYS 119 Cb -0.01 0.49 0.22 0.00 -2.06 0.00 0.00 37.83 36.47 2dng s LYS 119 CO 0.69 -0.37 1.30 0.00 0.10 0.00 0.00 175.35 177.07 2dng n GLN 120 N 0.61 -1.20 -3.70 1.78 10.64 -1.26 -5.07 117.38 119.17 2dng n GLN 120 Ca -0.19 -2.10 -0.33 0.00 -1.83 0.00 0.00 57.00 52.56 2dng n GLN 120 Cb 0.59 -1.31 -0.05 0.00 -0.86 0.00 0.00 30.24 28.61 2dng n GLN 120 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 2dng s ASP 121 N -5.78 6.50 -0.23 2.61 1.11 -1.26 -5.09 116.67 114.53 2dng s ASP 121 Ca 0.74 0.58 0.02 0.00 0.18 0.00 0.00 52.55 54.07 2dng s ASP 121 Cb -0.02 -2.09 0.05 0.00 1.07 0.00 0.00 42.92 41.93 2dng s ASP 121 CO 0.52 0.13 -0.13 -0.75 1.18 0.00 0.00 175.17 176.12 2dng s LYS 122 N -2.33 2.35 -0.15 8.23 2.20 -1.26 -5.10 119.74 123.68 2dng s LYS 122 Ca 0.36 -1.13 -0.11 0.00 -0.36 0.00 0.00 55.97 54.73 2dng s LYS 122 Cb -0.13 -2.72 0.05 0.00 -1.51 0.00 0.00 37.83 33.52 2dng s LYS 122 CO 0.22 -0.46 0.38 0.45 -0.36 0.00 0.00 175.35 175.58 2dng s SER 123 N 1.21 -0.43 0.00 1.43 0.15 -1.26 -5.08 113.70 109.72 2dng s SER 123 Ca -0.04 0.80 0.00 0.00 0.70 0.00 0.00 55.95 57.40 2dng s SER 123 Cb -0.18 0.75 0.00 0.00 -1.71 0.00 0.00 66.02 64.88 2dng s SER 123 CO -0.07 -0.16 0.00 0.61 1.20 0.00 0.00 173.24 174.82 2dng n GLY 124 N 3.47 -0.86 0.17 9.45 0.00 -1.26 -4.95 105.19 111.20 2dng n GLY 124 Ca -0.18 0.20 -0.02 0.00 0.00 0.00 0.00 46.02 46.02 2dng n GLY 124 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dng h PRO 125 N 0.00 0.13 -6.37 1.61 0.13 -2.08 -3.42 132.00 122.00 2dng h PRO 125 Ca 0.00 -0.08 -0.56 0.00 -0.87 0.00 0.00 66.00 64.49 2dng h PRO 125 Cb 0.00 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 31.10 2dng h PRO 125 CO 0.00 0.64 1.18 -1.12 -0.23 0.00 0.00 178.00 178.47 2dng s SER 126 N -6.88 6.04 -0.52 1.44 0.01 -1.26 -4.93 113.70 107.60 2dng s SER 126 Ca -0.03 0.89 0.04 0.00 1.31 0.00 0.00 55.95 58.15 2dng s SER 126 Cb 0.13 -2.53 0.16 0.00 0.21 0.00 0.00 66.02 63.99 2dng s SER 126 CO 0.77 -1.66 0.37 -0.55 0.41 0.00 0.00 173.24 172.58 2dng s SER 127 N 5.19 3.13 0.00 2.44 0.15 -1.26 -5.03 113.70 118.32 2dng s SER 127 Ca 0.68 -3.24 0.00 0.00 0.70 0.00 0.00 55.95 54.08 2dng s SER 127 Cb -0.16 -0.98 0.00 0.00 -1.71 0.00 0.00 66.02 63.16 2dng s SER 127 CO 0.31 -0.16 0.00 0.61 1.20 0.00 0.00 173.24 175.20