#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 -0.47 -0.16 1.61 0.01 -1.26 -5.15 113.70 108.28 2dng s SER 27 Ca 0.00 0.69 -0.04 0.00 1.31 0.00 0.00 55.95 57.91 2dng s SER 27 Cb 0.00 0.71 0.06 0.00 0.21 0.00 0.00 66.02 67.00 2dng s SER 27 CO 0.00 -0.37 0.07 -0.44 0.41 0.00 0.00 173.24 172.92 2dng s SER 28 N -0.56 2.33 0.25 2.44 0.01 -1.26 -5.15 113.70 111.76 2dng s SER 28 Ca -0.07 -0.58 0.00 0.00 1.31 0.00 0.00 55.95 56.61 2dng s SER 28 Cb -0.03 -0.31 0.00 0.00 0.21 0.00 0.00 66.02 65.89 2dng s SER 28 CO 0.04 -0.33 0.00 0.61 0.41 0.00 0.00 173.24 173.97 2dng n GLY 29 N 5.23 -1.52 3.00 3.44 0.00 -1.26 -5.08 105.19 109.01 2dng n GLY 29 Ca -0.07 -1.53 -0.22 0.00 0.00 0.00 0.00 46.02 44.21 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 -1.25 1.36 -0.03 1.61 1.04 -1.26 -5.13 113.70 110.03 2dng s SER 30 Ca 0.00 -0.21 -0.01 0.00 0.48 0.00 0.00 55.95 56.21 2dng s SER 30 Cb 0.00 -0.46 0.03 0.00 0.10 0.00 0.00 66.02 65.69 2dng s SER 30 CO 0.00 0.05 0.03 -0.94 0.98 0.00 0.00 173.24 173.36 2dng s SER 31 N 0.36 0.66 0.00 7.02 1.04 -1.26 -5.08 113.70 116.45 2dng s SER 31 Ca -0.07 0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.39 2dng s SER 31 Cb -0.11 -0.17 0.00 0.00 0.10 0.00 0.00 66.02 65.84 2dng s SER 31 CO 0.01 -0.17 0.00 0.61 0.98 0.00 0.00 173.24 174.68 2dng n GLY 32 N 4.63 3.12 3.12 7.32 0.00 -1.26 -5.10 105.19 117.02 2dng n GLY 32 Ca -0.18 -1.11 -0.36 0.00 0.00 0.00 0.00 46.02 44.37 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 0.47 -0.70 -1.02 1.61 5.02 -1.26 -4.82 118.16 117.46 2dng n LYS 33 Ca 0.00 -0.20 -0.36 0.00 -2.02 0.00 0.00 58.31 55.74 2dng n LYS 33 Cb 0.00 -1.30 0.06 0.00 -0.02 0.00 0.00 35.03 33.76 2dng n LYS 33 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 2dng n GLU 34 N 0.52 -0.02 -4.12 1.97 0.00 -1.26 -5.01 120.64 112.72 2dng n GLU 34 Ca -0.01 0.01 -0.13 0.00 0.00 0.00 0.00 57.16 57.03 2dng n GLU 34 Cb 0.70 -1.28 -0.11 0.00 0.00 0.00 0.00 31.44 30.74 2dng n GLU 34 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 2dng s LEU 35 N 4.63 2.36 0.10 -1.84 1.43 -1.26 -5.06 118.68 119.04 2dng s LEU 35 Ca 0.49 -0.73 -0.36 0.00 -1.03 0.00 0.00 54.13 52.50 2dng s LEU 35 Cb -0.25 -0.18 -0.17 0.00 0.03 0.00 0.00 46.19 45.62 2dng s LEU 35 CO 0.74 -0.29 1.25 -2.65 0.23 0.00 0.00 176.35 175.64 2dng n PRO 36 N 0.86 1.00 0.05 1.29 -0.02 -1.26 -4.89 135.00 132.03 2dng n PRO 36 Ca -0.18 0.36 -0.10 0.00 -2.02 0.00 0.00 63.50 61.56 2dng n PRO 36 Cb 0.57 -1.94 -0.13 0.00 -0.02 0.00 0.00 33.50 31.98 2dng n PRO 36 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2dng h THR 37 N 3.09 1.44 -3.39 3.45 1.03 -1.99 -3.47 112.91 113.06 2dng h THR 37 Ca -0.47 -3.15 -0.14 0.00 -0.01 0.00 0.00 66.41 62.64 2dng h THR 37 Cb 1.35 2.76 -0.21 0.00 -1.07 0.00 0.00 68.15 70.98 2dng h THR 37 CO 0.74 0.85 -0.44 -1.83 -0.01 0.00 0.00 175.52 174.82 2dng s GLU 38 N -2.67 0.51 1.05 0.00 -1.05 -1.26 -5.17 118.70 110.11 2dng s GLU 38 Ca -0.02 -0.31 -0.13 0.00 -0.15 0.00 0.00 54.97 54.36 2dng s GLU 38 Cb 0.09 0.22 0.22 0.00 -0.44 0.00 0.00 34.13 34.21 2dng s GLU 38 CO 0.83 -0.12 1.08 -1.25 0.95 0.00 0.00 175.26 176.75 2dng s PRO 39 N -1.27 0.04 1.21 -4.83 0.04 -1.26 -4.75 135.00 124.17 2dng s PRO 39 Ca -0.13 0.58 -0.19 0.00 0.04 0.00 0.00 61.00 61.29 2dng s PRO 39 Cb -0.07 -1.69 0.29 0.00 0.04 0.00 0.00 34.50 33.08 2dng s PRO 39 CO 0.02 -3.01 1.11 -1.25 0.04 0.00 0.00 177.00 173.91 2dng s PRO 40 N -4.84 -1.26 -0.21 0.56 0.04 -1.26 -5.14 135.00 122.88 2dng s PRO 40 Ca 0.66 -0.07 0.01 0.00 0.04 0.00 0.00 61.00 61.64 2dng s PRO 40 Cb -0.20 -1.59 0.03 0.00 0.04 0.00 0.00 34.50 32.78 2dng s PRO 40 CO 0.59 -3.73 -0.16 0.71 0.04 0.00 0.00 177.00 174.45 2dng s TYR 41 N -3.00 2.97 -0.08 0.56 2.02 -1.22 -5.04 117.35 113.56 2dng s TYR 41 Ca 0.71 -1.85 -0.02 0.00 -0.37 0.00 0.00 57.07 55.54 2dng s TYR 41 Cb -0.10 -1.94 -0.03 0.00 -0.40 0.00 0.00 41.96 39.49 2dng s TYR 41 CO 0.56 -0.82 0.00 0.99 -1.57 0.00 0.00 175.55 174.71 2dng s THR 42 N 1.23 4.31 0.06 -0.71 2.01 -1.26 -0.47 115.64 120.81 2dng s THR 42 Ca -0.00 -0.26 0.06 0.00 0.31 0.00 0.00 61.69 61.80 2dng s THR 42 Cb -0.16 -2.82 -0.03 0.00 0.01 0.00 0.00 72.50 69.51 2dng s THR 42 CO -0.09 0.59 -0.16 0.00 -0.69 0.00 0.00 174.62 174.27 2dng s ALA 43 N -0.90 1.36 -0.20 7.40 0.00 0.58 -3.87 121.76 126.14 2dng s ALA 43 Ca 0.14 -0.98 -0.06 0.00 0.00 0.00 0.00 51.96 51.06 2dng s ALA 43 Cb -0.11 -0.19 -0.03 0.00 0.00 0.00 0.00 23.12 22.78 2dng s ALA 43 CO 0.03 0.25 0.03 -0.47 0.00 0.00 0.00 175.76 175.60 2dng s TYR 44 N -1.01 3.12 -0.21 0.00 6.14 -0.16 -0.11 117.35 125.11 2dng s TYR 44 Ca 0.02 -0.23 -0.01 0.00 0.64 0.00 0.00 57.07 57.49 2dng s TYR 44 Cb -0.09 -2.09 0.06 0.00 0.42 0.00 0.00 41.96 40.26 2dng s TYR 44 CO 0.02 -0.09 -0.01 0.08 0.64 0.00 0.00 175.55 176.19 2dng s VAL 45 N 0.79 1.05 0.26 3.14 1.01 -0.00 -1.34 120.40 125.31 2dng s VAL 45 Ca 0.02 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 61.10 2dng s VAL 45 Cb -0.14 -1.43 -0.00 0.00 0.00 0.00 0.00 36.38 34.82 2dng s VAL 45 CO 0.02 -0.15 0.01 0.61 0.00 0.00 0.00 175.10 175.59 2dng n GLY 46 N 4.85 3.85 2.11 4.51 0.00 -0.23 -2.01 105.19 118.27 2dng n GLY 46 Ca -0.11 -2.27 -0.07 0.00 0.00 0.00 0.00 46.02 43.57 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 -1.21 -2.31 -4.43 1.61 5.15 -1.18 -2.47 115.26 110.43 2dng n ASN 47 Ca -0.11 -0.28 -0.31 0.00 -0.60 0.00 0.00 54.58 53.28 2dng n ASN 47 Cb 0.34 -2.57 -0.13 0.00 -0.53 0.00 0.00 39.78 36.89 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 -3.96 2.51 1.04 1.20 1.43 -1.22 -4.45 118.68 115.24 2dng s LEU 48 Ca 0.03 -0.43 -0.18 0.00 -1.03 0.00 0.00 54.13 52.51 2dng s LEU 48 Cb -0.00 -1.47 0.01 0.00 0.03 0.00 0.00 46.19 44.75 2dng s LEU 48 CO 0.33 0.27 -0.23 -2.65 0.23 0.00 0.00 176.35 174.29 2dng n PRO 49 N 1.73 -0.82 0.26 1.29 -0.02 -1.26 -4.80 135.00 131.38 2dng n PRO 49 Ca -0.16 -0.22 0.15 0.00 -2.02 0.00 0.00 63.50 61.25 2dng n PRO 49 Cb 0.52 -1.55 0.54 0.00 -0.02 0.00 0.00 33.50 32.99 2dng n PRO 49 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 2dng h PHE 50 N -1.64 0.00 -1.40 6.00 -0.00 -1.98 -3.14 116.94 114.78 2dng h PHE 50 Ca -0.48 0.00 -0.71 0.00 -0.00 0.00 0.00 57.97 56.79 2dng h PHE 50 Cb 1.34 0.00 -0.29 0.00 -0.00 0.00 0.00 35.95 37.00 2dng h PHE 50 CO 0.20 0.03 0.81 0.09 -0.00 0.00 0.00 178.31 179.44 2dng n ASN 51 N -3.13 7.40 -4.54 -0.68 3.02 -1.26 -4.86 115.26 111.22 2dng n ASN 51 Ca 0.01 -3.81 -0.34 0.00 -0.03 0.00 0.00 54.58 50.42 2dng n ASN 51 Cb 0.38 -0.96 -0.12 0.00 -0.61 0.00 0.00 39.78 38.46 2dng n ASN 51 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2dng s THR 52 N -4.94 3.76 0.32 3.41 2.01 -1.19 -5.04 115.64 113.96 2dng s THR 52 Ca 0.59 -0.43 0.04 0.00 0.31 0.00 0.00 61.69 62.19 2dng s THR 52 Cb 0.47 -2.59 -0.03 0.00 0.01 0.00 0.00 72.50 70.36 2dng s THR 52 CO -0.17 0.55 0.18 0.68 -0.69 0.00 0.00 174.62 175.17 2dng s VAL 53 N -0.25 0.27 0.17 3.82 -7.23 -1.26 -4.96 120.40 110.95 2dng s VAL 53 Ca 0.04 -2.00 -0.23 0.00 -1.81 0.00 0.00 61.98 57.97 2dng s VAL 53 Cb -0.13 -2.49 0.07 0.00 0.56 0.00 0.00 36.38 34.39 2dng s VAL 53 CO 0.02 0.00 1.58 -0.61 -0.31 0.00 0.00 175.10 175.79 2dng h GLN 54 N 2.17 -0.22 -0.49 4.82 4.15 -1.99 -1.40 115.11 122.15 2dng h GLN 54 Ca -0.32 0.01 0.09 0.00 0.77 0.00 0.00 58.65 59.21 2dng h GLN 54 Cb 1.25 0.05 -0.10 0.00 0.21 0.00 0.00 27.48 28.89 2dng h GLN 54 CO 0.49 -0.14 -0.29 0.78 -1.93 0.00 0.00 178.83 177.73 2dng h GLY 55 N -0.23 -0.08 -0.19 2.39 0.00 -1.98 0.12 103.07 103.11 2dng h GLY 55 Ca 0.19 0.38 0.05 0.00 0.00 0.00 0.00 47.33 47.95 2dng h GLY 55 CO -0.63 -0.21 -0.48 -0.55 0.00 0.00 0.00 176.54 174.67 2dng h ASP 56 N -0.18 -1.55 0.40 0.19 3.32 -1.67 0.93 116.42 117.86 2dng h ASP 56 Ca 0.21 0.21 -0.01 0.00 0.02 0.00 0.00 57.03 57.46 2dng h ASP 56 Cb 0.52 0.64 -0.02 0.00 0.22 0.00 0.00 39.33 40.69 2dng h ASP 56 CO -0.59 -0.42 -0.34 0.40 -1.72 0.00 0.00 179.24 176.57 2dng h ILE 57 N -0.45 0.31 -1.09 0.35 1.08 -0.96 -1.94 117.51 114.80 2dng h ILE 57 Ca 0.08 0.00 0.31 0.00 -0.39 0.00 0.00 64.86 64.86 2dng h ILE 57 Cb 0.62 0.31 -0.11 0.00 -3.07 0.00 0.00 36.82 34.57 2dng h ILE 57 CO -0.50 0.00 0.69 -0.78 -0.69 0.00 0.00 178.15 176.88 2dng h ASP 58 N -0.74 0.42 -0.23 1.72 1.82 -0.35 0.20 116.42 119.26 2dng h ASP 58 Ca -0.03 0.11 -0.04 0.00 -0.39 0.00 0.00 57.03 56.67 2dng h ASP 58 Cb 0.65 0.05 -0.01 0.00 0.68 0.00 0.00 39.33 40.70 2dng h ASP 58 CO -0.02 0.01 -0.03 0.00 -1.61 0.00 0.00 179.24 177.59 2dng h ALA 59 N 1.64 0.31 -0.90 -0.78 0.00 -0.10 -1.13 119.26 118.31 2dng h ALA 59 Ca 0.66 -0.24 0.07 0.00 0.00 0.00 0.00 54.91 55.40 2dng h ALA 59 Cb 1.73 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 19.37 2dng h ALA 59 CO -0.36 0.07 0.56 0.82 0.00 0.00 0.00 179.25 180.34 2dng h ILE 60 N 0.18 1.04 -0.87 0.00 2.04 0.04 -1.50 117.51 118.44 2dng h ILE 60 Ca 0.06 -0.35 -0.48 0.00 1.00 0.00 0.00 64.86 65.09 2dng h ILE 60 Cb 0.46 -0.06 -0.27 0.00 -0.74 0.00 0.00 36.82 36.20 2dng h ILE 60 CO 0.02 0.18 0.51 0.49 0.00 0.00 0.00 178.15 179.35 2dng n PHE 61 N -4.60 2.71 0.31 1.37 3.72 -0.76 -4.56 117.46 115.65 2dng n PHE 61 Ca 0.14 -2.01 0.04 0.00 -0.05 0.00 0.00 57.45 55.57 2dng n PHE 61 Cb 0.19 -0.93 0.18 0.00 -0.94 0.00 0.00 39.48 37.99 2dng n PHE 61 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07 2dng n LYS 62 N -1.10 0.04 -0.02 -1.08 2.85 -0.44 -1.67 118.16 116.76 2dng n LYS 62 Ca 0.55 0.31 -0.11 0.00 -1.05 0.00 0.00 58.31 58.01 2dng n LYS 62 Cb 1.37 -1.50 -0.14 0.00 -0.65 0.00 0.00 35.03 34.11 2dng n LYS 62 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2dng n ASP 63 N -1.42 1.10 -4.97 -5.58 2.03 -1.26 -4.93 116.55 101.51 2dng n ASP 63 Ca 0.03 0.39 -0.21 0.00 0.52 0.00 0.00 54.79 55.52 2dng n ASP 63 Cb 0.08 -0.22 0.01 0.00 -0.72 0.00 0.00 41.12 40.28 2dng n ASP 63 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2dng s LEU 64 N -6.26 3.61 -0.26 -2.67 1.43 -0.67 -5.06 118.68 108.80 2dng s LEU 64 Ca -0.07 0.01 -0.23 0.00 -1.03 0.00 0.00 54.13 52.81 2dng s LEU 64 Cb 0.08 -2.93 -0.01 0.00 0.03 0.00 0.00 46.19 43.36 2dng s LEU 64 CO 0.82 -0.78 0.74 -0.44 0.23 0.00 0.00 176.35 176.92 2dng s SER 65 N -4.28 6.69 -0.33 2.29 0.01 -1.26 -4.98 113.70 111.83 2dng s SER 65 Ca 0.51 0.83 -0.02 0.00 1.31 0.00 0.00 55.95 58.57 2dng s SER 65 Cb -0.10 -2.39 0.07 0.00 0.21 0.00 0.00 66.02 63.81 2dng s SER 65 CO 0.36 -0.47 0.06 -0.63 0.41 0.00 0.00 173.24 172.97 2dng s ILE 66 N 2.72 3.13 0.10 1.44 1.01 -1.26 -3.45 121.20 124.88 2dng s ILE 66 Ca 0.31 -1.56 -0.19 0.00 0.00 0.00 0.00 60.65 59.21 2dng s ILE 66 Cb -0.15 -2.90 -0.07 0.00 0.01 0.00 0.00 42.46 39.35 2dng s ILE 66 CO 0.09 -0.28 1.60 -0.09 0.00 0.00 0.00 174.94 176.25 2dng h ARG 67 N 8.02 0.41 -1.56 2.79 2.43 -1.32 -3.47 114.38 121.68 2dng h ARG 67 Ca -0.19 -0.09 0.14 0.00 -0.81 0.00 0.00 59.98 59.03 2dng h ARG 67 Cb 1.06 -0.06 -0.22 0.00 -0.42 0.00 0.00 29.97 30.33 2dng h ARG 67 CO 0.58 0.50 0.65 0.45 -1.51 0.00 0.00 179.97 180.64 2dng s SER 68 N -5.78 -0.27 -0.03 -3.80 0.15 -1.23 -5.02 113.70 97.71 2dng s SER 68 Ca -0.14 0.22 0.07 0.00 0.70 0.00 0.00 55.95 56.81 2dng s SER 68 Cb 0.08 0.24 -0.02 0.00 -1.71 0.00 0.00 66.02 64.61 2dng s SER 68 CO 0.73 -0.31 -0.25 -0.69 1.20 0.00 0.00 173.24 173.93 2dng s VAL 69 N -1.57 1.97 -0.32 4.45 1.01 -1.26 0.10 120.40 124.78 2dng s VAL 69 Ca 0.03 -1.05 0.02 0.00 0.00 0.00 0.00 61.98 60.98 2dng s VAL 69 Cb -0.01 -1.65 0.09 0.00 0.00 0.00 0.00 36.38 34.81 2dng s VAL 69 CO -0.03 0.55 0.02 -0.13 0.00 0.00 0.00 175.10 175.52 2dng s ARG 70 N -0.43 1.83 -0.19 2.72 1.81 -0.17 -5.01 118.95 119.52 2dng s ARG 70 Ca 0.05 -1.68 -0.21 0.00 -1.72 0.00 0.00 55.73 52.17 2dng s ARG 70 Cb -0.11 -3.17 -0.03 0.00 -0.45 0.00 0.00 34.95 31.19 2dng s ARG 70 CO 0.01 -0.83 0.64 -0.51 -0.68 0.00 0.00 175.30 173.92 2dng s LEU 71 N 1.02 4.16 -0.07 2.53 1.43 -1.26 -2.02 118.68 124.46 2dng s LEU 71 Ca 0.04 0.87 -0.29 0.00 -1.03 0.00 0.00 54.13 53.72 2dng s LEU 71 Cb -0.20 -2.91 -0.02 0.00 0.03 0.00 0.00 46.19 43.09 2dng s LEU 71 CO -0.06 -0.27 0.97 -0.69 0.23 0.00 0.00 176.35 176.53 2dng s VAL 72 N 1.85 4.83 0.10 -1.59 1.01 -1.23 -5.04 120.40 120.34 2dng s VAL 72 Ca 0.30 1.99 0.02 0.00 0.00 0.00 0.00 61.98 64.28 2dng s VAL 72 Cb -0.16 -4.29 -0.04 0.00 0.00 0.00 0.00 36.38 31.89 2dng s VAL 72 CO 0.11 0.07 -0.07 -0.13 0.00 0.00 0.00 175.10 175.08 2dng s ARG 73 N 1.63 0.86 1.22 2.72 0.52 -1.26 -2.80 118.95 121.84 2dng s ARG 73 Ca 0.48 -1.35 -0.20 0.00 -0.52 0.00 0.00 55.73 54.14 2dng s ARG 73 Cb -0.19 -0.23 0.31 0.00 0.52 0.00 0.00 34.95 35.36 2dng s ARG 73 CO 0.21 -0.02 0.91 -3.47 0.02 0.00 0.00 175.30 172.95 2dng n ASP 74 N -0.06 -2.87 -0.04 0.23 2.03 -1.16 -4.92 116.55 109.76 2dng n ASP 74 Ca -0.12 -0.98 -0.02 0.00 0.52 0.00 0.00 54.79 54.19 2dng n ASP 74 Cb 0.61 -0.92 -0.08 0.00 -0.72 0.00 0.00 41.12 40.01 2dng n ASP 74 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2dng n LYS 75 N -4.97 1.79 -0.03 -0.67 5.02 -1.26 -4.05 118.16 113.98 2dng n LYS 75 Ca 0.13 -0.03 -0.02 0.00 -2.02 0.00 0.00 58.31 56.37 2dng n LYS 75 Cb 0.54 -1.26 -0.01 0.00 -0.02 0.00 0.00 35.03 34.29 2dng n LYS 75 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2dng h ASP 76 N 0.00 0.00 0.40 4.39 5.19 -2.00 -3.40 116.42 121.00 2dng h ASP 76 Ca -0.20 0.00 -0.11 0.00 -0.62 0.00 0.00 57.03 56.10 2dng h ASP 76 Cb 1.31 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.81 2dng h ASP 76 CO 0.01 0.37 -0.49 0.71 -3.12 0.00 0.00 179.24 176.72 2dng h THR 77 N -0.50 1.35 -5.74 0.35 1.35 -2.00 -3.47 112.91 104.25 2dng h THR 77 Ca 0.00 -1.70 -0.36 0.00 -0.55 0.00 0.00 66.41 63.80 2dng h THR 77 Cb 0.24 1.87 0.16 0.00 -1.73 0.00 0.00 68.15 68.68 2dng h THR 77 CO 0.00 0.49 -0.73 -0.67 -0.25 0.00 0.00 175.52 174.36 2dng n ASP 78 N -3.96 -3.80 -4.55 5.36 2.03 -1.26 -5.01 116.55 105.37 2dng n ASP 78 Ca -0.02 -0.59 -0.26 0.00 0.52 0.00 0.00 54.79 54.45 2dng n ASP 78 Cb 0.52 -5.08 -0.11 0.00 -0.72 0.00 0.00 41.12 35.73 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 -5.76 1.83 0.45 -0.67 -0.14 -1.26 -4.86 119.74 109.33 2dng s LYS 79 Ca 0.24 -2.01 -0.24 0.00 -1.36 0.00 0.00 55.97 52.59 2dng s LYS 79 Cb -0.11 -1.40 -0.09 0.00 -1.68 0.00 0.00 37.83 34.56 2dng s LYS 79 CO 0.73 -0.06 1.23 0.34 -0.76 0.00 0.00 175.35 176.83 2dng n PHE 80 N -0.85 1.94 -0.13 3.18 7.35 -1.26 -2.97 117.46 124.73 2dng n PHE 80 Ca -0.04 0.49 -0.28 0.00 -0.76 0.00 0.00 57.45 56.86 2dng n PHE 80 Cb 0.66 -2.34 -0.10 0.00 0.35 0.00 0.00 39.48 38.05 2dng n PHE 80 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 2dng n LYS 81 N -0.18 0.59 0.00 -4.13 4.76 -1.12 -4.86 118.16 113.21 2dng n LYS 81 Ca 0.08 0.33 0.00 0.00 -2.87 0.00 0.00 58.31 55.85 2dng n LYS 81 Cb 0.41 -1.56 0.00 0.00 -1.84 0.00 0.00 35.03 32.04 2dng n LYS 81 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2dng n GLY 82 N 1.33 1.12 3.24 0.72 0.00 -1.26 -5.08 105.19 105.27 2dng n GLY 82 Ca -0.49 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.25 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 1.95 0.12 1.61 -0.12 -1.26 -3.08 117.98 117.20 2dng s PHE 83 Ca 0.00 -0.37 -0.07 0.00 -0.05 0.00 0.00 56.93 56.44 2dng s PHE 83 Cb 0.00 -1.24 -0.01 0.00 -0.63 0.00 0.00 43.02 41.14 2dng s PHE 83 CO 0.00 -0.01 0.19 0.00 -0.05 0.00 0.00 175.22 175.35 2dng s TYR 85 N -3.94 2.62 -0.00 0.00 1.51 -0.86 -0.82 117.35 115.85 2dng s TYR 85 Ca 0.13 -1.08 -0.01 0.00 -1.01 0.00 0.00 57.07 55.10 2dng s TYR 85 Cb 0.05 -1.75 -0.04 0.00 -0.11 0.00 0.00 41.96 40.11 2dng s TYR 85 CO -0.04 -0.45 0.13 0.08 -1.11 0.00 0.00 175.55 174.16 2dng s VAL 86 N 0.47 5.08 -0.13 0.71 1.01 0.84 -1.00 120.40 127.38 2dng s VAL 86 Ca -0.15 -0.30 -0.03 0.00 0.00 0.00 0.00 61.98 61.50 2dng s VAL 86 Cb -0.17 -3.35 -0.03 0.00 0.00 0.00 0.00 36.38 32.82 2dng s VAL 86 CO 0.06 0.33 -0.01 -0.70 0.00 0.00 0.00 175.10 174.78 2dng s GLU 87 N -1.86 3.43 0.17 2.72 2.56 0.12 -0.31 118.70 125.53 2dng s GLU 87 Ca 0.25 -0.45 0.10 0.00 0.00 0.00 0.00 54.97 54.86 2dng s GLU 87 Cb -0.12 -2.90 -0.04 0.00 2.00 0.00 0.00 34.13 33.06 2dng s GLU 87 CO 0.17 0.43 -0.14 -0.06 -0.56 0.00 0.00 175.26 175.10 2dng s PHE 88 N -0.15 2.54 -0.03 5.30 0.40 0.38 -0.94 117.98 125.49 2dng s PHE 88 Ca 0.04 -0.26 -0.01 0.00 -0.60 0.00 0.00 56.93 56.10 2dng s PHE 88 Cb -0.13 -1.26 -0.00 0.00 0.51 0.00 0.00 43.02 42.14 2dng s PHE 88 CO 0.02 0.49 0.06 0.22 0.70 0.00 0.00 175.22 176.71 2dng h ASP 89 N 3.10 -0.02 -2.02 1.36 3.58 -1.85 -3.21 116.42 117.36 2dng h ASP 89 Ca -0.47 0.00 -0.45 0.00 0.42 0.00 0.00 57.03 56.53 2dng h ASP 89 Cb 1.20 0.00 0.05 0.00 1.72 0.00 0.00 39.33 42.31 2dng h ASP 89 CO 0.51 0.13 -0.03 -1.61 -2.88 0.00 0.00 179.24 175.37 2dng s GLU 90 N -1.30 2.26 0.06 0.28 2.02 -1.26 -4.59 118.70 116.17 2dng s GLU 90 Ca -0.00 -1.07 -0.05 0.00 0.02 0.00 0.00 54.97 53.87 2dng s GLU 90 Cb 0.00 -2.49 -0.29 0.00 0.10 0.00 0.00 34.13 31.45 2dng s GLU 90 CO 0.01 -0.92 1.10 -0.24 0.02 0.00 0.00 175.26 175.23 2dng h VAL 91 N -0.04 1.45 -0.49 2.63 3.04 -1.99 -3.33 116.25 117.52 2dng h VAL 91 Ca -0.38 -3.01 0.10 0.00 -1.01 0.00 0.00 66.70 62.39 2dng h VAL 91 Cb 1.28 2.94 -0.08 0.00 -2.01 0.00 0.00 31.29 33.42 2dng h VAL 91 CO 0.46 0.88 -0.03 -0.78 -1.01 0.00 0.00 177.57 177.09 2dng h ASP 92 N 0.08 -0.27 0.27 3.17 3.58 -1.99 -0.56 116.42 120.70 2dng h ASP 92 Ca -0.15 0.13 0.00 0.00 0.42 0.00 0.00 57.03 57.42 2dng h ASP 92 Cb 1.99 0.23 -0.04 0.00 1.72 0.00 0.00 39.33 43.24 2dng h ASP 92 CO 0.21 -0.10 -0.53 0.28 -2.88 0.00 0.00 179.24 176.23 2dng h SER 93 N 0.08 -1.53 0.03 2.28 0.02 -1.96 -0.55 113.55 111.92 2dng h SER 93 Ca 0.25 0.15 0.03 0.00 -0.84 0.00 0.00 61.79 61.37 2dng h SER 93 Cb 0.37 0.54 -0.05 0.00 0.14 0.00 0.00 62.40 63.40 2dng h SER 93 CO -0.44 -0.61 -0.44 0.25 -1.14 0.00 0.00 176.83 174.46 2dng h LEU 94 N -0.86 -1.33 -1.25 5.07 5.85 -1.58 0.30 115.31 121.52 2dng h LEU 94 Ca -0.03 0.16 0.30 0.00 0.84 0.00 0.00 57.88 59.14 2dng h LEU 94 Cb 0.81 0.51 -0.11 0.00 0.37 0.00 0.00 40.66 42.24 2dng h LEU 94 CO -0.20 -0.48 0.67 0.50 -0.34 0.00 0.00 178.44 178.59 2dng h LYS 95 N -0.61 0.36 0.01 1.25 3.64 -0.92 0.38 116.57 120.68 2dng h LYS 95 Ca 0.04 -0.02 -0.25 0.00 -1.27 0.00 0.00 60.65 59.15 2dng h LYS 95 Cb 0.67 -0.08 0.01 0.00 -0.41 0.00 0.00 32.23 32.42 2dng h LYS 95 CO -0.31 0.24 -1.01 1.49 -2.27 0.00 0.00 179.45 177.60 2dng h GLU 96 N 0.37 0.56 0.00 1.90 4.57 0.51 -3.11 114.58 119.38 2dng h GLU 96 Ca 0.66 -0.61 0.00 0.00 -1.18 0.00 0.00 59.36 58.23 2dng h GLU 96 Cb 1.64 0.17 0.00 0.00 -0.16 0.00 0.00 28.75 30.40 2dng h GLU 96 CO -0.40 1.23 0.00 0.00 -1.18 0.00 0.00 179.01 178.66 2dng h ALA 97 N 0.56 1.00 0.00 2.92 0.00 0.33 -2.44 119.26 121.63 2dng h ALA 97 Ca -0.11 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 2dng h ALA 97 Cb 1.65 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.43 2dng h ALA 97 CO 0.19 0.00 -0.47 -0.07 0.00 0.00 0.00 179.25 178.89 2dng h LEU 98 N 0.00 0.00 -2.40 0.00 3.38 -0.92 -2.88 115.31 112.50 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 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 2dng h LEU 98 CO 0.00 0.47 0.00 0.71 0.09 0.00 0.00 178.44 179.71 2dng h THR 99 N 0.00 0.00 0.00 0.22 1.35 -1.56 -0.53 112.91 112.39 2dng h THR 99 Ca -0.00 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 65.84 2dng h THR 99 Cb 0.98 0.83 0.00 0.00 -1.73 0.00 0.00 68.15 68.23 2dng h THR 99 CO 0.06 0.00 0.00 -1.22 -0.25 0.00 0.00 175.52 174.11 2dng n TYR 100 N -2.78 0.00 -1.77 4.73 4.02 -1.09 -4.44 117.16 115.83 2dng n TYR 100 Ca -0.02 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.54 2dng n TYR 100 Cb 0.06 -0.28 -0.06 0.00 -0.02 0.00 0.00 39.34 39.04 2dng n TYR 100 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 2dng n ASP 101 N -1.28 2.84 0.00 7.72 5.75 -0.21 -1.77 116.55 129.61 2dng n ASP 101 Ca 0.07 -2.68 0.00 0.00 -0.01 0.00 0.00 54.79 52.16 2dng n ASP 101 Cb 0.11 -1.54 0.00 0.00 -1.03 0.00 0.00 41.12 38.66 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 5.43 0.30 3.88 6.12 0.00 -1.26 -5.01 105.19 114.65 2dng n GLY 102 Ca 0.46 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.09 4.61 0.00 -0.73 -4.96 121.76 123.81 2dng s ALA 103 Ca 0.00 -0.24 -0.03 0.00 0.00 0.00 0.00 51.96 51.69 2dng s ALA 103 Cb 0.00 -2.89 -0.04 0.00 0.00 0.00 0.00 23.12 20.19 2dng s ALA 103 CO 0.00 -0.54 0.06 -0.51 0.00 0.00 0.00 175.76 174.77 2dng s LEU 104 N -4.96 3.88 -0.65 0.00 1.43 -1.26 -2.62 118.68 114.51 2dng s LEU 104 Ca 0.52 0.26 -0.03 0.00 -1.03 0.00 0.00 54.13 53.85 2dng s LEU 104 Cb -0.11 -1.94 0.17 0.00 0.03 0.00 0.00 46.19 44.34 2dng s LEU 104 CO 0.49 0.38 0.47 -0.22 0.23 0.00 0.00 176.35 177.70 2dng s LEU 105 N -1.00 5.31 0.00 1.79 2.96 0.11 -4.91 118.68 122.94 2dng s LEU 105 Ca 0.15 -2.89 0.00 0.00 -0.22 0.00 0.00 54.13 51.16 2dng s LEU 105 Cb -0.12 -1.87 0.00 0.00 0.50 0.00 0.00 46.19 44.70 2dng s LEU 105 CO 0.04 -0.37 0.00 0.61 -1.32 0.00 0.00 176.35 175.31 2dng n GLY 106 N 3.44 2.59 1.63 7.98 0.00 -1.26 -1.45 105.19 118.13 2dng n GLY 106 Ca 0.09 0.11 0.08 0.00 0.00 0.00 0.00 46.02 46.30 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 10.27 4.84 -3.31 1.61 8.00 -1.26 -4.94 116.55 131.76 2dng n ASP 107 Ca 0.00 -2.59 -0.19 0.00 0.71 0.00 0.00 54.79 52.72 2dng n ASP 107 Cb 0.00 -0.61 -0.08 0.00 -0.02 0.00 0.00 41.12 40.42 2dng n ASP 107 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2dng s ARG 108 N -2.15 1.80 0.38 -1.24 1.81 -0.53 -5.13 118.95 113.89 2dng s ARG 108 Ca 0.49 -2.00 0.08 0.00 -1.72 0.00 0.00 55.73 52.57 2dng s ARG 108 Cb 0.34 0.34 -0.04 0.00 -0.45 0.00 0.00 34.95 35.14 2dng s ARG 108 CO 0.20 -0.68 0.23 0.45 -0.68 0.00 0.00 175.30 174.82 2dng s SER 109 N -3.36 4.75 0.05 0.23 0.15 -1.26 0.09 113.70 114.34 2dng s SER 109 Ca 0.40 -0.84 0.08 0.00 0.70 0.00 0.00 55.95 56.28 2dng s SER 109 Cb 0.02 -0.63 -0.03 0.00 -1.71 0.00 0.00 66.02 63.67 2dng s SER 109 CO 0.27 -0.48 -0.20 -0.76 1.20 0.00 0.00 173.24 173.28 2dng s LEU 110 N -3.96 2.54 -0.31 3.45 1.43 -1.08 -4.60 118.68 116.15 2dng s LEU 110 Ca 0.42 -0.47 -0.01 0.00 -1.03 0.00 0.00 54.13 53.04 2dng s LEU 110 Cb -0.01 -1.48 0.10 0.00 0.03 0.00 0.00 46.19 44.84 2dng s LEU 110 CO 0.24 0.25 0.11 -0.60 0.23 0.00 0.00 176.35 176.59 2dng s ARG 111 N -1.47 0.60 -0.13 1.70 6.06 -1.03 -4.31 118.95 120.37 2dng s ARG 111 Ca 0.14 -0.99 -0.02 0.00 -2.50 0.00 0.00 55.73 52.36 2dng s ARG 111 Cb -0.10 -1.78 -0.03 0.00 0.06 0.00 0.00 34.95 33.10 2dng s ARG 111 CO 0.05 -1.01 -0.06 0.08 -2.50 0.00 0.00 175.30 171.86 2dng s VAL 112 N 1.66 3.75 0.07 7.11 1.01 -1.26 -1.06 120.40 131.69 2dng s VAL 112 Ca 0.10 -0.42 -0.18 0.00 0.00 0.00 0.00 61.98 61.48 2dng s VAL 112 Cb -0.17 -2.61 0.04 0.00 0.00 0.00 0.00 36.38 33.64 2dng s VAL 112 CO -0.26 0.53 0.42 -0.62 0.00 0.00 0.00 175.10 175.17 2dng s ASP 113 N 0.01 -0.28 0.05 3.32 2.15 -0.45 -4.71 116.67 116.76 2dng s ASP 113 Ca -0.00 -0.10 -0.31 0.00 0.43 0.00 0.00 52.55 52.57 2dng s ASP 113 Cb -0.13 0.45 -0.07 0.00 -0.30 0.00 0.00 42.92 42.87 2dng s ASP 113 CO 0.03 -0.74 1.42 -0.63 -0.17 0.00 0.00 175.17 175.08 2dng s ILE 114 N -2.97 3.49 -0.89 4.11 1.01 -1.26 -0.99 121.20 123.69 2dng s ILE 114 Ca -0.02 0.98 -0.24 0.00 0.00 0.00 0.00 60.65 61.36 2dng s ILE 114 Cb 0.00 -3.63 0.01 0.00 0.01 0.00 0.00 42.46 38.85 2dng s ILE 114 CO -0.06 0.03 1.62 0.00 0.00 0.00 0.00 174.94 176.53 2dng s ALA 115 N 1.88 2.33 0.48 9.38 0.00 -1.25 -4.85 121.76 129.74 2dng s ALA 115 Ca 0.65 -1.71 -0.23 0.00 0.00 0.00 0.00 51.96 50.67 2dng s ALA 115 Cb -0.34 -4.47 -0.07 0.00 0.00 0.00 0.00 23.12 18.24 2dng s ALA 115 CO 0.29 -3.97 1.28 -1.83 0.00 0.00 0.00 175.76 171.53 2dng s GLU 116 N 5.95 3.57 0.00 0.00 1.03 -1.26 -4.96 118.70 123.03 2dng s GLU 116 Ca 0.54 2.06 0.00 0.00 0.03 0.00 0.00 54.97 57.60 2dng s GLU 116 Cb -0.05 -2.44 0.00 0.00 -0.80 0.00 0.00 34.13 30.84 2dng s GLU 116 CO 0.00 -0.79 0.00 0.41 -1.33 0.00 0.00 175.26 173.56 2dng n GLY 117 N 0.61 0.76 2.79 -3.83 0.00 -1.26 -5.06 105.19 99.20 2dng n GLY 117 Ca 0.07 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.92 2dng n GLY 117 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2dng s ARG 118 N 0.49 0.15 -0.21 1.61 6.06 -1.26 -5.11 118.95 120.68 2dng s ARG 118 Ca 0.00 0.32 -0.40 0.00 -2.50 0.00 0.00 55.73 53.15 2dng s ARG 118 Cb 0.00 -0.93 -0.16 0.00 0.06 0.00 0.00 34.95 33.92 2dng s ARG 118 CO 0.00 -0.55 1.67 1.17 -2.50 0.00 0.00 175.30 175.09 2dng n LYS 119 N 5.32 1.15 -3.94 5.12 0.00 -1.26 -4.93 118.16 119.61 2dng n LYS 119 Ca -0.05 0.42 -0.35 0.00 0.00 0.00 0.00 58.31 58.32 2dng n LYS 119 Cb 0.50 -2.09 -0.08 0.00 0.00 0.00 0.00 35.03 33.35 2dng n LYS 119 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.40 176.26 2dng s GLN 120 N 2.98 3.77 0.31 1.64 2.00 -1.26 -5.05 119.66 124.04 2dng s GLN 120 Ca 0.96 -0.26 -0.21 0.00 -2.00 0.00 0.00 55.36 53.85 2dng s GLN 120 Cb -1.05 -3.21 -0.14 0.00 0.80 0.00 0.00 33.01 29.40 2dng s GLN 120 CO 0.62 0.47 0.19 -0.25 -0.50 0.00 0.00 175.29 175.82 2dng n ASP 121 N 2.94 -2.13 -3.53 6.67 9.92 -1.26 -4.98 116.55 124.17 2dng n ASP 121 Ca -0.18 0.81 -0.11 0.00 -0.53 0.00 0.00 54.79 54.78 2dng n ASP 121 Cb 0.53 -0.80 -0.03 0.00 -0.64 0.00 0.00 41.12 40.18 2dng n ASP 121 CO 0.00 0.00 0.00 -1.59 0.13 0.00 0.00 177.20 175.74 2dng s LYS 122 N -0.89 1.20 -0.10 -1.24 0.00 -1.26 -5.10 119.74 112.35 2dng s LYS 122 Ca 0.54 -0.60 -0.04 0.00 0.00 0.00 0.00 55.97 55.87 2dng s LYS 122 Cb -0.64 0.53 -0.01 0.00 0.00 0.00 0.00 37.83 37.71 2dng s LYS 122 CO 0.54 -0.50 -0.08 1.03 0.00 0.00 0.00 175.35 176.34 2dng h SER 123 N 2.17 0.00 -4.90 0.03 0.87 -2.08 -3.51 113.55 106.12 2dng h SER 123 Ca -0.34 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.22 2dng h SER 123 Cb 1.28 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.24 2dng h SER 123 CO 0.42 0.53 0.00 0.61 -0.53 0.00 0.00 176.83 177.85 2dng n GLY 124 N 1.72 1.74 3.56 5.77 0.00 -1.26 -5.01 105.19 111.71 2dng n GLY 124 Ca -0.03 -1.82 -0.40 0.00 0.00 0.00 0.00 46.02 43.76 2dng n GLY 124 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2dng n PRO 125 N 1.60 0.97 -4.48 1.61 -0.02 -1.26 -5.02 135.00 128.42 2dng n PRO 125 Ca 0.00 0.36 -0.24 0.00 -2.02 0.00 0.00 63.50 61.60 2dng n PRO 125 Cb 0.00 -1.92 -0.10 0.00 -0.02 0.00 0.00 33.50 31.46 2dng n PRO 125 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2dng s SER 126 N -0.96 3.55 -0.85 2.55 1.04 -1.26 -5.08 113.70 112.69 2dng s SER 126 Ca 0.67 -1.06 -0.20 0.00 0.48 0.00 0.00 55.95 55.84 2dng s SER 126 Cb -0.51 -0.30 0.11 0.00 0.10 0.00 0.00 66.02 65.42 2dng s SER 126 CO 0.54 -0.01 1.08 -0.44 0.98 0.00 0.00 173.24 175.39 2dng s SER 127 N -3.52 6.49 0.00 7.02 0.01 -1.26 -5.34 113.70 117.10 2dng s SER 127 Ca 0.30 -1.72 0.00 0.00 1.31 0.00 0.00 55.95 55.84 2dng s SER 127 Cb -0.03 -2.41 0.00 0.00 0.21 0.00 0.00 66.02 63.79 2dng s SER 127 CO 0.15 -1.18 0.00 0.61 0.41 0.00 0.00 173.24 173.23