#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 1.49 -0.00 1.61 0.01 -1.26 -5.07 113.70 110.48 2dng s SER 27 Ca 0.00 1.31 -0.05 0.00 1.31 0.00 0.00 55.95 58.52 2dng s SER 27 Cb 0.00 -2.04 -0.00 0.00 0.21 0.00 0.00 66.02 64.18 2dng s SER 27 CO 0.00 -3.85 0.09 -0.94 0.41 0.00 0.00 173.24 168.95 2dng s SER 28 N -2.94 0.05 0.00 2.44 1.04 -1.26 -5.16 113.70 107.87 2dng s SER 28 Ca 0.67 -0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.90 2dng s SER 28 Cb -0.22 0.19 0.00 0.00 0.10 0.00 0.00 66.02 66.09 2dng s SER 28 CO 0.62 -0.30 0.00 0.61 0.98 0.00 0.00 173.24 175.15 2dng n GLY 29 N 1.75 3.42 2.99 7.32 0.00 -1.26 -5.13 105.19 114.27 2dng n GLY 29 Ca -0.21 -1.71 -0.25 0.00 0.00 0.00 0.00 46.02 43.85 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 -0.08 1.90 -0.12 1.61 1.04 -1.26 -5.13 113.70 111.66 2dng s SER 30 Ca 0.00 -0.30 -0.07 0.00 0.48 0.00 0.00 55.95 56.06 2dng s SER 30 Cb 0.00 -0.83 -0.04 0.00 0.10 0.00 0.00 66.02 65.25 2dng s SER 30 CO 0.00 -0.01 0.13 -0.44 0.98 0.00 0.00 173.24 173.89 2dng s SER 31 N 0.99 6.27 0.00 7.02 0.01 -1.26 -4.90 113.70 121.83 2dng s SER 31 Ca -0.08 0.43 0.00 0.00 1.31 0.00 0.00 55.95 57.61 2dng s SER 31 Cb -0.15 -2.01 0.00 0.00 0.21 0.00 0.00 66.02 64.07 2dng s SER 31 CO -0.00 0.40 0.00 0.61 0.41 0.00 0.00 173.24 174.66 2dng n GLY 32 N 2.02 -2.03 3.77 3.44 0.00 -1.26 -5.14 105.19 105.98 2dng n GLY 32 Ca -0.20 0.76 -0.34 0.00 0.00 0.00 0.00 46.02 46.24 2dng n GLY 32 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dng s LYS 33 N 0.00 2.98 -0.46 1.61 0.00 -1.26 -5.02 119.74 117.59 2dng s LYS 33 Ca 0.00 1.52 0.04 0.00 0.00 0.00 0.00 55.97 57.53 2dng s LYS 33 Cb 0.00 -1.96 0.12 0.00 0.00 0.00 0.00 37.83 35.99 2dng s LYS 33 CO 0.00 -1.13 0.19 -1.21 0.00 0.00 0.00 175.35 173.20 2dng s GLU 34 N -3.74 1.83 0.55 1.78 2.02 -1.26 -5.10 118.70 114.78 2dng s GLU 34 Ca 0.70 -2.38 -0.18 0.00 0.02 0.00 0.00 54.97 53.13 2dng s GLU 34 Cb -0.23 -3.29 -0.12 0.00 0.10 0.00 0.00 34.13 30.59 2dng s GLU 34 CO 0.36 -1.06 0.08 1.28 0.02 0.00 0.00 175.26 175.95 2dng n LEU 35 N 3.48 -2.15 -4.32 1.80 4.77 -1.26 -4.85 117.00 114.47 2dng n LEU 35 Ca 0.05 0.66 -0.35 0.00 -0.03 0.00 0.00 56.01 56.34 2dng n LEU 35 Cb 0.35 -0.96 0.08 0.00 -2.33 0.00 0.00 43.42 40.55 2dng n LEU 35 CO 0.30 -4.21 -0.37 -2.65 -1.33 0.00 0.00 177.39 169.12 2dng n PRO 36 N 0.95 0.00 -0.05 3.23 -0.02 -1.26 -4.95 135.00 132.90 2dng n PRO 36 Ca 0.09 0.03 -0.14 0.00 -2.02 0.00 0.00 63.50 61.46 2dng n PRO 36 Cb 0.48 -1.58 -0.14 0.00 -0.02 0.00 0.00 33.50 32.24 2dng n PRO 36 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 2dng n THR 37 N -2.76 1.59 -3.81 3.45 -1.04 -1.26 -5.00 114.28 105.44 2dng n THR 37 Ca 0.06 -0.73 -0.10 0.00 -2.04 0.00 0.00 64.05 61.23 2dng n THR 37 Cb 0.52 -1.16 -0.08 0.00 -1.82 0.00 0.00 70.33 67.79 2dng n THR 37 CO 0.00 0.00 0.00 -1.83 -0.64 0.00 0.00 175.07 172.60 2dng s GLU 38 N -2.55 0.79 1.05 -2.82 -1.05 -1.26 -5.15 118.70 107.71 2dng s GLU 38 Ca -0.16 -0.70 -0.13 0.00 -0.15 0.00 0.00 54.97 53.84 2dng s GLU 38 Cb 0.07 0.33 0.22 0.00 -0.44 0.00 0.00 34.13 34.31 2dng s GLU 38 CO 0.77 -0.25 1.08 -1.25 0.95 0.00 0.00 175.26 176.56 2dng s PRO 39 N -3.00 0.04 0.70 -4.83 0.04 -1.26 -4.68 135.00 122.02 2dng s PRO 39 Ca -0.02 0.58 -0.13 0.00 0.04 0.00 0.00 61.00 61.47 2dng s PRO 39 Cb 0.01 -1.69 0.02 0.00 0.04 0.00 0.00 34.50 32.88 2dng s PRO 39 CO -0.06 -3.01 1.10 -1.25 0.04 0.00 0.00 177.00 173.82 2dng s PRO 40 N -4.84 2.58 -0.99 0.56 0.04 -1.26 -5.10 135.00 125.99 2dng s PRO 40 Ca 0.66 1.30 -0.12 0.00 0.04 0.00 0.00 61.00 62.89 2dng s PRO 40 Cb -0.20 -1.93 0.24 0.00 0.04 0.00 0.00 34.50 32.65 2dng s PRO 40 CO 0.59 -1.41 0.99 0.71 0.04 0.00 0.00 177.00 177.92 2dng s TYR 41 N -2.56 3.95 0.29 0.56 2.02 -1.19 -5.00 117.35 115.42 2dng s TYR 41 Ca 0.65 -2.29 -0.28 0.00 -0.37 0.00 0.00 57.07 54.77 2dng s TYR 41 Cb -0.19 -3.89 -0.09 0.00 -0.40 0.00 0.00 41.96 37.39 2dng s TYR 41 CO 0.47 -1.03 1.00 0.99 -1.57 0.00 0.00 175.55 175.42 2dng s THR 42 N -0.27 3.88 0.02 -0.71 2.01 -1.26 -1.45 115.64 117.86 2dng s THR 42 Ca 0.26 1.74 0.02 0.00 0.31 0.00 0.00 61.69 64.03 2dng s THR 42 Cb -0.09 -4.05 -0.01 0.00 0.01 0.00 0.00 72.50 68.36 2dng s THR 42 CO -0.08 0.30 -0.07 0.00 -0.69 0.00 0.00 174.62 174.08 2dng s ALA 43 N -1.35 0.58 -0.17 7.40 0.00 0.21 -3.85 121.76 124.59 2dng s ALA 43 Ca 0.47 -0.52 -0.07 0.00 0.00 0.00 0.00 51.96 51.83 2dng s ALA 43 Cb -0.25 -0.06 -0.04 0.00 0.00 0.00 0.00 23.12 22.77 2dng s ALA 43 CO 0.32 0.07 0.08 -0.47 0.00 0.00 0.00 175.76 175.76 2dng s TYR 44 N -0.72 3.30 -0.22 0.00 5.04 -0.21 0.46 117.35 125.01 2dng s TYR 44 Ca -0.03 0.16 -0.01 0.00 -2.44 0.00 0.00 57.07 54.75 2dng s TYR 44 Cb -0.06 -2.06 0.06 0.00 0.35 0.00 0.00 41.96 40.25 2dng s TYR 44 CO 0.00 0.25 0.00 0.08 -1.34 0.00 0.00 175.55 174.55 2dng s VAL 45 N 0.15 0.94 0.38 3.14 1.01 -0.10 -1.90 120.40 124.02 2dng s VAL 45 Ca 0.06 -0.87 0.03 0.00 0.00 0.00 0.00 61.98 61.19 2dng s VAL 45 Cb -0.12 -1.37 0.03 0.00 0.00 0.00 0.00 36.38 34.91 2dng s VAL 45 CO 0.00 -0.20 0.22 0.61 0.00 0.00 0.00 175.10 175.74 2dng n GLY 46 N 4.89 3.04 2.92 4.51 0.00 -0.34 -2.03 105.19 118.18 2dng n GLY 46 Ca -0.10 -2.27 -0.16 0.00 0.00 0.00 0.00 46.02 43.49 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 -1.74 -4.82 -4.66 1.61 5.15 -1.22 -3.00 115.26 106.58 2dng n ASN 47 Ca -0.04 -0.37 -0.33 0.00 -0.60 0.00 0.00 54.58 53.23 2dng n ASN 47 Cb 0.44 -3.62 -0.09 0.00 -0.53 0.00 0.00 39.78 35.97 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 -5.32 3.45 0.97 1.20 1.43 -1.06 -4.59 118.68 114.75 2dng s LEU 48 Ca 0.38 -0.02 -0.14 0.00 -1.03 0.00 0.00 54.13 53.31 2dng s LEU 48 Cb -0.17 -1.96 -0.02 0.00 0.03 0.00 0.00 46.19 44.08 2dng s LEU 48 CO 0.50 0.29 0.03 -2.65 0.23 0.00 0.00 176.35 174.76 2dng n PRO 49 N 1.49 -0.20 -0.11 1.29 -0.02 -1.26 -4.64 135.00 131.56 2dng n PRO 49 Ca -0.15 -0.03 -0.12 0.00 -2.02 0.00 0.00 63.50 61.18 2dng n PRO 49 Cb 0.53 -1.59 -0.03 0.00 -0.02 0.00 0.00 33.50 32.38 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 -1.39 0.70 -0.53 6.00 0.04 -1.93 -3.22 116.94 116.61 2dng h PHE 50 Ca -0.44 -0.16 -0.51 0.00 2.80 0.00 0.00 57.97 59.67 2dng h PHE 50 Cb 1.29 -0.17 -0.09 0.00 2.20 0.00 0.00 35.95 39.18 2dng h PHE 50 CO 0.33 0.81 1.44 0.27 -0.60 0.00 0.00 178.31 180.57 2dng n ASN 51 N -4.44 7.02 -4.46 2.17 0.23 -1.26 -4.53 115.26 109.99 2dng n ASN 51 Ca -0.03 -2.83 -0.34 0.00 -0.53 0.00 0.00 54.58 50.85 2dng n ASN 51 Cb 0.34 -1.39 -0.13 0.00 -2.08 0.00 0.00 39.78 36.52 2dng n ASN 51 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 2dng s THR 52 N -0.03 3.81 0.18 5.53 2.01 -1.22 -5.02 115.64 120.90 2dng s THR 52 Ca 0.63 -0.38 0.04 0.00 0.31 0.00 0.00 61.69 62.29 2dng s THR 52 Cb 0.27 -2.68 -0.05 0.00 0.01 0.00 0.00 72.50 70.05 2dng s THR 52 CO -0.09 0.47 -0.06 0.68 -0.69 0.00 0.00 174.62 174.93 2dng s VAL 53 N 0.60 1.07 0.29 3.82 -7.23 -1.26 -4.90 120.40 112.80 2dng s VAL 53 Ca -0.03 -2.04 0.16 0.00 -1.81 0.00 0.00 61.98 58.27 2dng s VAL 53 Cb -0.14 -2.04 0.28 0.00 0.56 0.00 0.00 36.38 35.03 2dng s VAL 53 CO 0.02 -0.58 1.25 0.00 -0.31 0.00 0.00 175.10 175.49 2dng n GLN 54 N -0.28 -0.05 0.25 4.82 6.02 -1.26 -0.11 117.38 126.78 2dng n GLN 54 Ca -0.08 1.10 -0.16 0.00 -0.01 0.00 0.00 57.00 57.84 2dng n GLN 54 Cb 0.62 -1.97 -0.09 0.00 1.02 0.00 0.00 30.24 29.83 2dng n GLN 54 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 2dng h GLY 55 N 0.00 -1.21 0.17 1.08 0.00 -1.99 0.98 103.07 102.10 2dng h GLY 55 Ca 0.67 0.57 0.06 0.00 0.00 0.00 0.00 47.33 48.63 2dng h GLY 55 CO -0.61 -0.36 -0.23 -0.55 0.00 0.00 0.00 176.54 174.79 2dng h ASP 56 N -0.89 -0.75 -0.40 0.19 3.32 -0.91 -1.88 116.42 115.10 2dng h ASP 56 Ca -0.05 0.14 0.08 0.00 0.02 0.00 0.00 57.03 57.21 2dng h ASP 56 Cb 0.78 0.35 -0.07 0.00 0.22 0.00 0.00 39.33 40.61 2dng h ASP 56 CO -0.07 -0.27 -0.06 0.40 -1.72 0.00 0.00 179.24 177.52 2dng h ILE 57 N -0.24 0.64 -0.52 0.35 1.08 -1.32 -1.68 117.51 115.82 2dng h ILE 57 Ca 0.14 -0.02 0.10 0.00 -0.39 0.00 0.00 64.86 64.69 2dng h ILE 57 Cb 0.45 0.59 -0.09 0.00 -3.07 0.00 0.00 36.82 34.70 2dng h ILE 57 CO -0.38 0.01 -0.03 -0.78 -0.69 0.00 0.00 178.15 176.28 2dng h ASP 58 N 0.05 -0.28 -0.26 1.72 3.58 -0.04 -1.51 116.42 119.68 2dng h ASP 58 Ca 0.20 0.13 0.04 0.00 0.42 0.00 0.00 57.03 57.82 2dng h ASP 58 Cb 0.29 0.24 -0.04 0.00 1.72 0.00 0.00 39.33 41.55 2dng h ASP 58 CO -0.38 -0.10 0.03 0.00 -2.88 0.00 0.00 179.24 175.91 2dng h ALA 59 N 1.48 0.25 -0.15 -0.78 0.00 -0.62 0.76 119.26 120.19 2dng h ALA 59 Ca 0.26 0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.28 2dng h ALA 59 Cb 0.40 0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.21 2dng h ALA 59 CO -0.46 -0.39 -0.39 0.82 0.00 0.00 0.00 179.25 178.83 2dng h ILE 60 N 0.11 0.18 -0.96 0.00 2.04 -0.57 -1.60 117.51 116.71 2dng h ILE 60 Ca 0.12 0.00 -0.55 0.00 1.00 0.00 0.00 64.86 65.43 2dng h ILE 60 Cb 0.14 0.18 -0.30 0.00 -0.74 0.00 0.00 36.82 36.10 2dng h ILE 60 CO -0.18 0.00 0.67 0.49 0.00 0.00 0.00 178.15 179.13 2dng n PHE 61 N -5.43 3.03 0.18 1.37 3.72 -0.86 -4.64 117.46 114.83 2dng n PHE 61 Ca -0.03 -2.21 -0.14 0.00 -0.05 0.00 0.00 57.45 55.01 2dng n PHE 61 Cb 0.35 -1.08 -0.07 0.00 -0.94 0.00 0.00 39.48 37.74 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 -0.43 -1.37 -1.08 2.10 0.16 -2.02 116.57 115.26 2dng h LYS 62 Ca 0.61 0.03 0.40 0.00 -2.00 0.00 0.00 60.65 59.69 2dng h LYS 62 Cb 2.16 0.10 -0.08 0.00 -0.90 0.00 0.00 32.23 33.51 2dng h LYS 62 CO 1.22 -0.28 0.96 -0.44 -2.00 0.00 0.00 179.45 178.90 2dng h ASP 63 N -0.44 0.11 -4.80 7.07 5.19 -1.82 -3.40 116.42 118.33 2dng h ASP 63 Ca -0.02 0.04 -0.43 0.00 -0.62 0.00 0.00 57.03 55.99 2dng h ASP 63 Cb 0.37 0.02 0.11 0.00 0.18 0.00 0.00 39.33 40.02 2dng h ASP 63 CO 0.02 -0.02 0.22 0.18 -3.12 0.00 0.00 179.24 176.52 2dng n LEU 64 N -4.28 0.00 -4.18 1.55 4.77 -0.76 -5.07 117.00 109.03 2dng n LEU 64 Ca 0.32 -1.78 -0.36 0.00 -0.03 0.00 0.00 56.01 54.16 2dng n LEU 64 Cb 1.40 -0.75 -0.12 0.00 -2.33 0.00 0.00 43.42 41.62 2dng n LEU 64 CO 0.36 -1.13 -0.26 -0.44 -1.33 0.00 0.00 177.39 174.59 2dng s SER 65 N -5.17 5.15 -0.33 -1.43 0.01 -1.26 -5.03 113.70 105.64 2dng s SER 65 Ca 0.67 -1.50 -0.16 0.00 1.31 0.00 0.00 55.95 56.26 2dng s SER 65 Cb -0.03 -1.80 -0.01 0.00 0.21 0.00 0.00 66.02 64.39 2dng s SER 65 CO 0.45 -0.38 0.42 -0.63 0.41 0.00 0.00 173.24 173.51 2dng s ILE 66 N 1.26 5.11 -0.06 1.44 1.01 -1.26 -3.64 121.20 125.06 2dng s ILE 66 Ca 0.00 0.25 -0.26 0.00 0.00 0.00 0.00 60.65 60.65 2dng s ILE 66 Cb -0.21 -3.86 -0.21 0.00 0.01 0.00 0.00 42.46 38.19 2dng s ILE 66 CO -0.01 -0.10 1.05 -0.09 0.00 0.00 0.00 174.94 175.79 2dng h ARG 67 N 8.41 -0.04 -3.63 2.79 2.43 -1.79 -3.48 114.38 119.07 2dng h ARG 67 Ca -0.29 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 58.81 2dng h ARG 67 Cb 1.14 0.01 -0.13 0.00 -0.42 0.00 0.00 29.97 30.57 2dng h ARG 67 CO 0.72 0.58 -0.21 0.45 -1.51 0.00 0.00 179.97 179.99 2dng s SER 68 N -5.80 -0.06 0.00 -3.80 0.15 -1.24 -5.04 113.70 97.92 2dng s SER 68 Ca -0.16 -0.58 0.01 0.00 0.70 0.00 0.00 55.95 55.92 2dng s SER 68 Cb 0.00 0.44 -0.01 0.00 -1.71 0.00 0.00 66.02 64.74 2dng s SER 68 CO 0.64 -0.85 -0.05 -0.69 1.20 0.00 0.00 173.24 173.49 2dng s VAL 69 N -3.87 0.36 -0.17 4.45 1.01 -1.26 -0.39 120.40 120.53 2dng s VAL 69 Ca 0.08 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 61.71 2dng s VAL 69 Cb 0.03 -0.34 0.04 0.00 0.00 0.00 0.00 36.38 36.11 2dng s VAL 69 CO -0.07 -0.00 -0.08 -0.60 0.00 0.00 0.00 175.10 174.34 2dng s ARG 70 N -0.39 1.78 0.13 2.72 3.52 0.10 -5.00 118.95 121.82 2dng s ARG 70 Ca -0.01 -0.64 0.03 0.00 -0.13 0.00 0.00 55.73 54.98 2dng s ARG 70 Cb -0.03 -2.16 -0.04 0.00 -1.56 0.00 0.00 34.95 31.16 2dng s ARG 70 CO -0.00 -0.40 0.20 -0.51 -0.81 0.00 0.00 175.30 173.78 2dng s LEU 71 N 1.52 4.10 0.05 -0.88 1.43 -1.26 -0.10 118.68 123.55 2dng s LEU 71 Ca 0.01 0.07 0.02 0.00 -1.03 0.00 0.00 54.13 53.19 2dng s LEU 71 Cb -0.15 -2.70 -0.04 0.00 0.03 0.00 0.00 46.19 43.33 2dng s LEU 71 CO -0.08 0.09 0.09 -0.69 0.23 0.00 0.00 176.35 175.99 2dng s VAL 72 N -1.66 4.65 -0.10 -1.59 1.01 -1.22 -4.97 120.40 116.51 2dng s VAL 72 Ca 0.33 -0.63 -0.17 0.00 0.00 0.00 0.00 61.98 61.50 2dng s VAL 72 Cb -0.11 -3.21 0.04 0.00 0.00 0.00 0.00 36.38 33.10 2dng s VAL 72 CO 0.26 0.19 0.43 -0.13 0.00 0.00 0.00 175.10 175.85 2dng s ARG 73 N -2.20 0.63 0.98 2.72 0.52 -1.26 -2.92 118.95 117.42 2dng s ARG 73 Ca 0.28 0.31 -0.12 0.00 -0.52 0.00 0.00 55.73 55.68 2dng s ARG 73 Cb -0.12 0.30 0.18 0.00 0.52 0.00 0.00 34.95 35.82 2dng s ARG 73 CO 0.20 -0.13 1.09 0.34 0.02 0.00 0.00 175.30 176.82 2dng s ASP 74 N -0.44 2.77 -0.03 0.23 2.15 -1.23 -4.87 116.67 115.24 2dng s ASP 74 Ca -0.06 1.32 0.09 0.00 0.43 0.00 0.00 52.55 54.33 2dng s ASP 74 Cb -0.03 -1.99 -0.23 0.00 -0.30 0.00 0.00 42.92 40.36 2dng s ASP 74 CO 0.03 -3.06 0.72 0.07 -0.17 0.00 0.00 175.17 172.76 2dng h LYS 75 N -1.84 0.05 0.00 4.34 2.10 -1.97 -3.08 116.57 116.16 2dng h LYS 75 Ca -0.53 -0.08 0.00 0.00 -2.00 0.00 0.00 60.65 58.04 2dng h LYS 75 Cb 1.31 0.03 0.00 0.00 -0.90 0.00 0.00 32.23 32.67 2dng h LYS 75 CO 0.56 0.67 0.00 -0.25 -2.00 0.00 0.00 179.45 178.43 2dng n ASP 76 N -3.16 0.00 -0.08 7.07 8.00 -1.26 -4.54 116.55 122.58 2dng n ASP 76 Ca -0.16 0.35 -0.10 0.00 0.71 0.00 0.00 54.79 55.59 2dng n ASP 76 Cb 1.04 -0.48 -0.03 0.00 -0.02 0.00 0.00 41.12 41.63 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 0.00 1.15 -2.49 -3.53 1.35 -1.99 -3.47 112.91 103.92 2dng h THR 77 Ca 0.00 -0.42 -0.12 0.00 -0.55 0.00 0.00 66.41 65.33 2dng h THR 77 Cb 0.00 0.92 0.04 0.00 -1.73 0.00 0.00 68.15 67.39 2dng h THR 77 CO 0.00 0.15 -0.20 -0.67 -0.25 0.00 0.00 175.52 174.54 2dng n ASP 78 N -4.81 -3.18 -4.17 5.36 2.03 -1.16 -4.97 116.55 105.65 2dng n ASP 78 Ca -0.02 -0.16 -0.19 0.00 0.52 0.00 0.00 54.79 54.94 2dng n ASP 78 Cb 0.10 -1.84 -0.12 0.00 -0.72 0.00 0.00 41.12 38.54 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 -5.29 0.83 -0.12 -0.67 1.02 -1.26 -4.80 119.74 109.46 2dng s LYS 79 Ca 0.16 -0.95 -0.40 0.00 0.02 0.00 0.00 55.97 54.80 2dng s LYS 79 Cb -0.07 -0.85 -0.19 0.00 -0.52 0.00 0.00 37.83 36.20 2dng s LYS 79 CO 0.22 0.19 1.15 0.34 -0.92 0.00 0.00 175.35 176.33 2dng n PHE 80 N 1.32 0.88 0.08 3.18 7.35 -1.26 -3.51 117.46 125.49 2dng n PHE 80 Ca -0.21 1.04 -0.21 0.00 -0.76 0.00 0.00 57.45 57.31 2dng n PHE 80 Cb 0.54 -2.04 -0.14 0.00 0.35 0.00 0.00 39.48 38.19 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 3.35 0.48 0.00 -4.13 1.79 -1.87 -3.47 116.57 112.72 2dng h LYS 81 Ca -0.47 -0.70 0.00 0.00 -2.18 0.00 0.00 60.65 57.30 2dng h LYS 81 Cb 1.36 0.24 0.00 0.00 -1.58 0.00 0.00 32.23 32.25 2dng h LYS 81 CO 0.70 1.31 0.00 0.41 -1.08 0.00 0.00 179.45 180.79 2dng n GLY 82 N 1.50 0.54 3.20 3.86 0.00 -1.26 -4.97 105.19 108.06 2dng n GLY 82 Ca -0.14 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.65 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 1.56 0.09 1.61 -0.12 -1.26 -2.55 117.98 117.31 2dng s PHE 83 Ca 0.00 -0.36 -0.12 0.00 -0.05 0.00 0.00 56.93 56.39 2dng s PHE 83 Cb 0.00 -0.93 0.02 0.00 -0.63 0.00 0.00 43.02 41.48 2dng s PHE 83 CO 0.00 0.07 0.29 0.00 -0.05 0.00 0.00 175.22 175.53 2dng s TYR 85 N -3.59 2.93 -0.10 0.00 1.51 0.86 -0.93 117.35 118.03 2dng s TYR 85 Ca 0.02 -0.69 -0.03 0.00 -1.01 0.00 0.00 57.07 55.36 2dng s TYR 85 Cb 0.03 -1.99 -0.03 0.00 -0.11 0.00 0.00 41.96 39.85 2dng s TYR 85 CO -0.10 -0.32 0.01 0.08 -1.11 0.00 0.00 175.55 174.11 2dng s VAL 86 N 0.87 4.41 -0.02 0.71 1.01 0.17 0.01 120.40 127.56 2dng s VAL 86 Ca -0.02 -0.20 -0.00 0.00 0.00 0.00 0.00 61.98 61.76 2dng s VAL 86 Cb -0.15 -2.88 -0.04 0.00 0.00 0.00 0.00 36.38 33.32 2dng s VAL 86 CO 0.01 0.58 0.05 -0.70 0.00 0.00 0.00 175.10 175.04 2dng s GLU 87 N -0.66 2.99 0.08 2.72 2.12 0.48 0.66 118.70 127.09 2dng s GLU 87 Ca 0.11 -0.49 0.08 0.00 0.36 0.00 0.00 54.97 55.03 2dng s GLU 87 Cb -0.12 -2.81 -0.03 0.00 0.26 0.00 0.00 34.13 31.43 2dng s GLU 87 CO 0.02 0.66 -0.21 -0.06 -0.54 0.00 0.00 175.26 175.13 2dng s PHE 88 N -1.10 1.85 0.00 5.30 0.08 -0.53 -2.43 117.98 121.15 2dng s PHE 88 Ca 0.20 -0.40 0.00 0.00 0.12 0.00 0.00 56.93 56.85 2dng s PHE 88 Cb -0.12 -1.05 0.00 0.00 -0.57 0.00 0.00 43.02 41.28 2dng s PHE 88 CO 0.10 0.16 0.89 -3.47 -0.10 0.00 0.00 175.22 172.81 2dng n ASP 89 N 1.44 0.00 -4.99 1.36 2.03 -1.24 -3.20 116.55 111.95 2dng n ASP 89 Ca -0.18 0.91 -0.19 0.00 0.52 0.00 0.00 54.79 55.85 2dng n ASP 89 Cb 0.53 -0.43 0.01 0.00 -0.72 0.00 0.00 41.12 40.52 2dng n ASP 89 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2dng s GLU 90 N -2.64 2.65 0.26 -0.67 0.41 -1.26 -4.57 118.70 112.87 2dng s GLU 90 Ca 0.00 -1.41 0.01 0.00 -0.41 0.00 0.00 54.97 53.16 2dng s GLU 90 Cb 0.00 -2.65 0.34 0.00 -1.78 0.00 0.00 34.13 30.04 2dng s GLU 90 CO 0.00 -0.40 1.68 -0.24 -0.49 0.00 0.00 175.26 175.82 2dng h VAL 91 N 0.61 1.27 -0.40 2.63 3.04 -1.98 -3.21 116.25 118.21 2dng h VAL 91 Ca -0.38 -1.34 0.07 0.00 -1.01 0.00 0.00 66.70 64.04 2dng h VAL 91 Cb 1.28 1.37 -0.09 0.00 -2.01 0.00 0.00 31.29 31.85 2dng h VAL 91 CO 0.47 0.43 -0.43 0.44 -1.01 0.00 0.00 177.57 177.46 2dng h ASP 92 N 0.46 -1.43 -0.30 3.17 5.19 -1.99 0.20 116.42 121.72 2dng h ASP 92 Ca 0.06 0.22 0.07 0.00 -0.62 0.00 0.00 57.03 56.76 2dng h ASP 92 Cb 0.72 0.62 -0.08 0.00 0.18 0.00 0.00 39.33 40.78 2dng h ASP 92 CO 0.06 -0.37 -0.24 0.28 -3.12 0.00 0.00 179.24 175.85 2dng h SER 93 N -0.33 -0.78 0.20 6.45 0.02 -1.94 -0.07 113.55 117.10 2dng h SER 93 Ca 0.13 0.15 0.01 0.00 -0.84 0.00 0.00 61.79 61.24 2dng h SER 93 Cb 0.59 0.38 -0.03 0.00 0.14 0.00 0.00 62.40 63.47 2dng h SER 93 CO -0.57 -0.27 -0.31 0.25 -1.14 0.00 0.00 176.83 174.79 2dng h LEU 94 N -0.22 -0.88 -0.61 5.07 5.85 -1.36 -0.28 115.31 122.88 2dng h LEU 94 Ca 0.15 0.09 0.13 0.00 0.84 0.00 0.00 57.88 59.09 2dng h LEU 94 Cb 0.46 0.32 -0.10 0.00 0.37 0.00 0.00 40.66 41.70 2dng h LEU 94 CO -0.42 -0.42 -0.01 0.50 -0.34 0.00 0.00 178.44 177.75 2dng h LYS 95 N -0.59 0.11 -0.43 1.25 3.64 -0.16 0.23 116.57 120.63 2dng h LYS 95 Ca 0.01 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 2dng h LYS 95 Cb 0.58 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.35 2dng h LYS 95 CO -0.13 0.07 0.18 1.49 -2.27 0.00 0.00 179.45 178.79 2dng h GLU 96 N 0.11 0.61 0.00 1.90 4.57 -0.58 -1.27 114.58 119.91 2dng h GLU 96 Ca 0.32 -0.08 0.00 0.00 -1.18 0.00 0.00 59.36 58.42 2dng h GLU 96 Cb 0.51 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 28.98 2dng h GLU 96 CO -0.53 0.50 0.00 0.00 -1.18 0.00 0.00 179.01 177.80 2dng h ALA 97 N 1.59 1.00 0.00 2.92 0.00 0.11 -2.92 119.26 121.96 2dng h ALA 97 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2dng h ALA 97 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2dng h ALA 97 CO -0.02 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.51 2dng n LEU 98 N -3.05 0.57 -0.05 0.00 4.77 0.38 -2.81 117.00 116.82 2dng n LEU 98 Ca 0.03 0.58 0.07 0.00 -0.03 0.00 0.00 56.01 56.66 2dng n LEU 98 Cb 0.43 -0.43 0.42 0.00 -2.33 0.00 0.00 43.42 41.51 2dng n LEU 98 CO 0.31 -0.25 0.77 0.35 -1.33 0.00 0.00 177.39 177.24 2dng n THR 99 N -2.06 0.02 1.04 -5.08 -2.24 -1.10 -3.01 114.28 101.84 2dng n THR 99 Ca 0.05 -0.03 0.12 0.00 -2.27 0.00 0.00 64.05 61.92 2dng n THR 99 Cb 0.34 -0.18 0.23 0.00 -2.10 0.00 0.00 70.33 68.62 2dng n THR 99 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 2dng n TYR 100 N -0.64 0.08 -2.31 4.78 4.02 -1.12 -4.78 117.16 117.19 2dng n TYR 100 Ca 0.11 -0.04 -0.35 0.00 -0.01 0.00 0.00 57.90 57.62 2dng n TYR 100 Cb 0.07 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.36 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 -1.91 5.86 0.00 7.72 2.15 -1.16 -2.46 116.67 126.87 2dng s ASP 101 Ca 0.32 -1.87 0.00 0.00 0.43 0.00 0.00 52.55 51.43 2dng s ASP 101 Cb 0.20 -2.58 0.00 0.00 -0.30 0.00 0.00 42.92 40.24 2dng s ASP 101 CO 0.31 -2.18 0.00 0.61 -0.17 0.00 0.00 175.17 173.73 2dng n GLY 102 N 5.83 0.47 3.87 2.66 0.00 -1.26 -4.99 105.19 111.77 2dng n GLY 102 Ca 0.45 0.00 -0.29 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 2.33 -0.08 4.61 0.00 -1.03 -4.92 121.76 122.67 2dng s ALA 103 Ca 0.00 -0.68 0.04 0.00 0.00 0.00 0.00 51.96 51.32 2dng s ALA 103 Cb 0.00 -2.96 -0.01 0.00 0.00 0.00 0.00 23.12 20.15 2dng s ALA 103 CO 0.00 -1.96 -0.20 -0.51 0.00 0.00 0.00 175.76 173.09 2dng s LEU 104 N -5.76 2.32 -0.59 0.00 1.43 -1.26 -2.41 118.68 112.41 2dng s LEU 104 Ca 0.64 -0.43 -0.08 0.00 -1.03 0.00 0.00 54.13 53.23 2dng s LEU 104 Cb -0.11 -1.46 0.15 0.00 0.03 0.00 0.00 46.19 44.80 2dng s LEU 104 CO 0.51 0.22 0.45 -0.22 0.23 0.00 0.00 176.35 177.55 2dng s LEU 105 N -0.03 5.75 0.00 1.79 2.96 0.24 -4.93 118.68 124.47 2dng s LEU 105 Ca -0.06 -2.38 0.00 0.00 -0.22 0.00 0.00 54.13 51.47 2dng s LEU 105 Cb -0.15 -1.99 0.00 0.00 0.50 0.00 0.00 46.19 44.55 2dng s LEU 105 CO 0.05 -0.56 0.00 0.61 -1.32 0.00 0.00 176.35 175.13 2dng n GLY 106 N 4.25 2.60 1.88 7.98 0.00 -1.26 -1.24 105.19 119.40 2dng n GLY 106 Ca 0.02 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.26 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 10.51 5.08 -3.26 1.61 8.00 -1.26 -4.94 116.55 132.30 2dng n ASP 107 Ca 0.00 -3.00 -0.15 0.00 0.71 0.00 0.00 54.79 52.35 2dng n ASP 107 Cb 0.00 -0.71 -0.04 0.00 -0.02 0.00 0.00 41.12 40.35 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 -2.74 1.90 0.45 -1.24 0.52 -0.37 -5.18 118.95 112.29 2dng s ARG 108 Ca 0.52 -1.78 0.07 0.00 -0.52 0.00 0.00 55.73 54.02 2dng s ARG 108 Cb 0.40 0.43 -0.01 0.00 0.52 0.00 0.00 34.95 36.29 2dng s ARG 108 CO 0.14 -0.78 0.32 -1.12 0.02 0.00 0.00 175.30 173.88 2dng s SER 109 N -3.25 4.71 0.07 0.23 0.01 -1.26 0.82 113.70 115.03 2dng s SER 109 Ca 0.31 -1.01 0.08 0.00 1.31 0.00 0.00 55.95 56.64 2dng s SER 109 Cb -0.00 -0.23 -0.03 0.00 0.21 0.00 0.00 66.02 65.96 2dng s SER 109 CO 0.21 -0.76 -0.20 -0.76 0.41 0.00 0.00 173.24 172.14 2dng s LEU 110 N -4.10 2.54 -0.30 2.44 1.43 -1.01 -4.55 118.68 115.14 2dng s LEU 110 Ca 0.41 -0.52 -0.02 0.00 -1.03 0.00 0.00 54.13 52.97 2dng s LEU 110 Cb -0.01 -1.46 0.10 0.00 0.03 0.00 0.00 46.19 44.85 2dng s LEU 110 CO 0.24 0.23 0.10 -0.60 0.23 0.00 0.00 176.35 176.55 2dng s ARG 111 N -1.67 0.57 -0.18 1.70 3.00 -1.16 -4.10 118.95 117.11 2dng s ARG 111 Ca 0.15 -0.87 -0.01 0.00 -1.00 0.00 0.00 55.73 54.00 2dng s ARG 111 Cb -0.10 -1.77 -0.00 0.00 0.00 0.00 0.00 34.95 33.07 2dng s ARG 111 CO 0.06 -0.97 -0.12 0.08 0.00 0.00 0.00 175.30 174.36 2dng s VAL 112 N 1.77 2.90 0.05 7.11 1.01 -1.26 -1.20 120.40 130.78 2dng s VAL 112 Ca 0.09 -0.68 -0.10 0.00 0.00 0.00 0.00 61.98 61.29 2dng s VAL 112 Cb -0.17 -2.26 0.01 0.00 0.00 0.00 0.00 36.38 33.96 2dng s VAL 112 CO -0.27 0.49 0.21 -0.62 0.00 0.00 0.00 175.10 174.91 2dng s ASP 113 N 1.02 0.02 -0.24 3.32 2.15 -0.80 -4.63 116.67 117.52 2dng s ASP 113 Ca -0.01 -0.37 -0.29 0.00 0.43 0.00 0.00 52.55 52.31 2dng s ASP 113 Cb -0.15 0.31 -0.02 0.00 -0.30 0.00 0.00 42.92 42.76 2dng s ASP 113 CO -0.02 -0.59 1.50 -0.63 -0.17 0.00 0.00 175.17 175.26 2dng s ILE 114 N -2.73 3.86 -0.99 4.11 1.01 -1.26 -1.04 121.20 124.15 2dng s ILE 114 Ca -0.04 0.97 -0.21 0.00 0.00 0.00 0.00 60.65 61.37 2dng s ILE 114 Cb -0.00 -3.85 -0.10 0.00 0.01 0.00 0.00 42.46 38.51 2dng s ILE 114 CO -0.05 -0.34 1.94 0.00 0.00 0.00 0.00 174.94 176.50 2dng n ALA 115 N 8.06 3.10 -0.68 9.38 0.00 -1.25 -4.87 120.51 134.25 2dng n ALA 115 Ca 0.17 -3.32 -0.32 0.00 0.00 0.00 0.00 53.44 49.97 2dng n ALA 115 Cb 0.46 -3.58 0.17 0.00 0.00 0.00 0.00 19.45 16.49 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 7.39 -1.12 -3.51 0.00 -0.58 -1.26 -4.91 120.64 116.63 2dng n GLU 116 Ca 0.48 -0.29 -0.14 0.00 -0.42 0.00 0.00 57.16 56.79 2dng n GLU 116 Cb 0.42 -1.94 -0.05 0.00 -0.57 0.00 0.00 31.44 29.31 2dng n GLU 116 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 2dng s GLY 117 N -2.12 -0.50 1.06 0.62 0.00 -1.26 -5.16 107.32 99.96 2dng s GLY 117 Ca 0.60 1.30 -0.18 0.00 0.00 0.00 0.00 44.72 46.44 2dng s GLY 117 CO 0.65 0.75 -0.10 -0.96 0.00 0.00 0.00 173.10 173.44 2dng n ARG 118 N 0.48 -1.02 -4.04 2.90 0.00 -1.26 -4.98 116.66 108.74 2dng n ARG 118 Ca -0.15 -0.28 -0.33 0.00 -0.00 0.00 0.00 57.85 57.09 2dng n ARG 118 Cb 0.59 -1.63 -0.15 0.00 -0.00 0.00 0.00 32.46 31.28 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 -3.26 2.46 -0.25 2.89 -2.85 -1.26 -5.09 119.74 112.38 2dng s LYS 119 Ca 0.53 -1.21 -0.06 0.00 -1.00 0.00 0.00 55.97 54.24 2dng s LYS 119 Cb -0.12 -2.90 -0.01 0.00 -2.06 0.00 0.00 37.83 32.74 2dng s LYS 119 CO 0.67 -0.50 0.03 -0.65 0.10 0.00 0.00 175.35 175.01 2dng s GLN 120 N 1.18 3.43 0.29 1.78 -0.21 -1.26 -5.08 119.66 119.79 2dng s GLN 120 Ca -0.05 -0.62 -0.06 0.00 0.02 0.00 0.00 55.36 54.66 2dng s GLN 120 Cb -0.18 -3.22 -0.01 0.00 1.00 0.00 0.00 33.01 30.60 2dng s GLN 120 CO -0.06 -0.25 0.42 0.16 -2.12 0.00 0.00 175.29 173.45 2dng s ASP 121 N 1.54 0.44 0.85 5.90 1.47 -1.26 -5.16 116.67 120.46 2dng s ASP 121 Ca 0.05 -1.28 -0.11 0.00 1.18 0.00 0.00 52.55 52.40 2dng s ASP 121 Cb -0.15 0.59 0.11 0.00 -0.34 0.00 0.00 42.92 43.13 2dng s ASP 121 CO 0.01 -1.17 1.15 -0.75 0.68 0.00 0.00 175.17 175.08 2dng s LYS 122 N -3.56 1.48 0.00 2.11 2.20 -1.26 -4.92 119.74 115.79 2dng s LYS 122 Ca 0.29 1.50 0.28 0.00 -0.36 0.00 0.00 55.97 57.68 2dng s LYS 122 Cb 0.01 -1.78 1.03 0.00 -1.51 0.00 0.00 37.83 35.57 2dng s LYS 122 CO 0.15 -2.28 1.73 -1.13 -0.36 0.00 0.00 175.35 173.46 2dng n SER 123 N -3.81 0.92 -2.83 1.43 3.41 -1.26 -4.65 113.62 106.83 2dng n SER 123 Ca 0.12 -0.95 0.00 0.00 -0.26 0.00 0.00 58.87 57.77 2dng n SER 123 Cb 0.52 0.03 0.01 0.00 -0.26 0.00 0.00 64.21 64.51 2dng n SER 123 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2dng s GLY 124 N -2.34 -1.55 -0.88 5.00 0.00 -1.26 -5.09 107.32 101.19 2dng s GLY 124 Ca 0.30 0.77 -0.20 0.00 0.00 0.00 0.00 44.72 45.60 2dng s GLY 124 CO 0.45 4.13 2.36 -1.05 0.00 0.00 0.00 173.10 178.99 2dng n PRO 125 N 3.52 0.28 -0.06 2.90 -0.02 -1.26 -4.74 135.00 135.63 2dng n PRO 125 Ca 0.09 -0.24 -0.19 0.00 -2.02 0.00 0.00 63.50 61.15 2dng n PRO 125 Cb 0.62 -2.14 -0.13 0.00 -0.02 0.00 0.00 33.50 31.83 2dng n PRO 125 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 2dng h SER 126 N 12.71 0.11 -0.68 2.55 0.02 -1.99 -3.46 113.55 122.80 2dng h SER 126 Ca -0.02 -0.80 -0.71 0.00 -0.84 0.00 0.00 61.79 59.42 2dng h SER 126 Cb 1.14 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.65 2dng h SER 126 CO 1.36 1.32 0.66 -1.20 -1.14 0.00 0.00 176.83 177.82 2dng n SER 127 N -4.38 0.93 0.00 3.07 7.64 -1.26 -5.31 113.62 114.31 2dng n SER 127 Ca -0.21 0.91 0.00 0.00 1.01 0.00 0.00 58.87 60.58 2dng n SER 127 Cb 0.65 -0.73 0.00 0.00 -1.01 0.00 0.00 64.21 63.12 2dng n SER 127 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64