#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 0.69 -4.71 1.61 7.64 -1.26 -4.75 113.62 112.84 2dng n SER 27 Ca 0.00 -0.92 -0.43 0.00 1.01 0.00 0.00 58.87 58.52 2dng n SER 27 Cb 0.00 -1.15 -0.03 0.00 -1.01 0.00 0.00 64.21 62.02 2dng n SER 27 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2dng n SER 28 N -2.00 3.60 0.00 6.43 7.64 -1.26 -4.74 113.62 123.29 2dng n SER 28 Ca -0.24 1.10 0.00 0.00 1.01 0.00 0.00 58.87 60.74 2dng n SER 28 Cb 0.51 -1.53 0.00 0.00 -1.01 0.00 0.00 64.21 62.18 2dng n SER 28 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dng n GLY 29 N 3.09 0.71 3.75 0.23 0.00 -1.26 -5.07 105.19 106.64 2dng n GLY 29 Ca 0.13 -1.92 -0.41 0.00 0.00 0.00 0.00 46.02 43.82 2dng n GLY 29 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dng s SER 30 N -4.00 7.13 -0.22 1.61 0.01 -1.26 -5.03 113.70 111.94 2dng s SER 30 Ca 0.00 2.31 0.01 0.00 1.31 0.00 0.00 55.95 59.58 2dng s SER 30 Cb 0.00 -2.62 0.05 0.00 0.21 0.00 0.00 66.02 63.66 2dng s SER 30 CO 0.00 -0.29 -0.09 -0.55 0.41 0.00 0.00 173.24 172.72 2dng s SER 31 N -0.42 3.66 1.02 2.44 0.15 -1.26 -5.12 113.70 114.17 2dng s SER 31 Ca 0.48 -1.03 -0.18 0.00 0.70 0.00 0.00 55.95 55.92 2dng s SER 31 Cb -0.33 -1.27 0.04 0.00 -1.71 0.00 0.00 66.02 62.75 2dng s SER 31 CO 0.41 -0.17 -0.31 0.61 1.20 0.00 0.00 173.24 174.98 2dng n GLY 32 N 4.64 -2.53 3.19 9.45 0.00 -1.26 -4.93 105.19 113.75 2dng n GLY 32 Ca -0.14 -0.57 -0.27 0.00 0.00 0.00 0.00 46.02 45.04 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 -0.58 -3.93 -1.78 1.61 5.02 -1.26 -4.85 118.16 112.38 2dng n LYS 33 Ca 0.01 -1.16 -0.42 0.00 -2.02 0.00 0.00 58.31 54.72 2dng n LYS 33 Cb 0.54 -1.82 -0.03 0.00 -0.02 0.00 0.00 35.03 33.71 2dng n LYS 33 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2dng s GLU 34 N -4.55 4.15 0.10 1.97 8.01 -1.26 -5.00 118.70 122.13 2dng s GLU 34 Ca 0.59 2.53 0.02 0.00 0.01 0.00 0.00 54.97 58.12 2dng s GLU 34 Cb -0.12 -3.28 -0.04 0.00 -4.31 0.00 0.00 34.13 26.39 2dng s GLU 34 CO 0.51 -0.75 0.17 -0.51 0.01 0.00 0.00 175.26 174.70 2dng s LEU 35 N 1.72 4.09 0.47 1.80 1.43 -1.26 -4.94 118.68 121.98 2dng s LEU 35 Ca 0.75 0.10 -0.23 0.00 -1.03 0.00 0.00 54.13 53.72 2dng s LEU 35 Cb -0.47 -2.71 -0.07 0.00 0.03 0.00 0.00 46.19 42.97 2dng s LEU 35 CO 0.33 0.13 1.20 -2.16 0.23 0.00 0.00 176.35 176.07 2dng s PRO 36 N -2.73 3.69 -0.10 1.29 0.04 -1.26 -4.97 135.00 130.96 2dng s PRO 36 Ca 0.32 1.85 0.17 0.00 0.04 0.00 0.00 61.00 63.39 2dng s PRO 36 Cb -0.12 -2.41 -0.25 0.00 0.04 0.00 0.00 34.50 31.76 2dng s PRO 36 CO 0.26 -0.63 0.22 0.25 0.04 0.00 0.00 177.00 177.14 2dng n THR 37 N -0.52 0.64 -4.41 1.26 -2.24 -1.26 -4.97 114.28 102.78 2dng n THR 37 Ca 0.07 -0.60 -0.19 0.00 -2.27 0.00 0.00 64.05 61.07 2dng n THR 37 Cb 0.47 -0.25 -0.15 0.00 -2.10 0.00 0.00 70.33 68.30 2dng n THR 37 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2dng s GLU 38 N -2.83 0.80 0.93 -0.78 2.56 -1.26 -5.15 118.70 112.96 2dng s GLU 38 Ca -0.08 -0.37 -0.12 0.00 0.00 0.00 0.00 54.97 54.40 2dng s GLU 38 Cb 0.08 -0.77 0.15 0.00 2.00 0.00 0.00 34.13 35.59 2dng s GLU 38 CO 0.75 0.21 1.11 -1.25 -0.56 0.00 0.00 175.26 175.52 2dng s PRO 39 N -0.27 0.95 1.15 4.30 0.04 -1.26 -4.73 135.00 135.19 2dng s PRO 39 Ca 0.04 0.44 -0.19 0.00 0.04 0.00 0.00 61.00 61.33 2dng s PRO 39 Cb -0.04 -1.80 0.29 0.00 0.04 0.00 0.00 34.50 32.98 2dng s PRO 39 CO -0.00 -2.36 1.02 -0.35 0.04 0.00 0.00 177.00 175.35 2dng n PRO 40 N -3.90 -3.02 -3.97 0.56 -0.04 -1.26 -5.14 135.00 118.23 2dng n PRO 40 Ca 0.06 -1.63 -0.31 0.00 -0.04 0.00 0.00 63.50 61.58 2dng n PRO 40 Cb 0.58 -1.53 -0.15 0.00 -0.04 0.00 0.00 33.50 32.35 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 -2.85 2.64 0.02 0.54 2.02 -1.26 -5.03 117.35 113.43 2dng s TYR 41 Ca 0.66 -1.94 0.04 0.00 -0.37 0.00 0.00 57.07 55.46 2dng s TYR 41 Cb -0.07 -1.72 -0.03 0.00 -0.40 0.00 0.00 41.96 39.74 2dng s TYR 41 CO 0.51 -0.81 -0.06 0.99 -1.57 0.00 0.00 175.55 174.61 2dng s THR 42 N 1.31 3.68 0.09 -0.71 2.01 -1.26 -1.30 115.64 119.46 2dng s THR 42 Ca -0.06 -0.83 0.05 0.00 0.31 0.00 0.00 61.69 61.17 2dng s THR 42 Cb -0.19 -2.63 -0.03 0.00 0.01 0.00 0.00 72.50 69.66 2dng s THR 42 CO -0.06 0.34 -0.14 0.00 -0.69 0.00 0.00 174.62 174.06 2dng s ALA 43 N -1.05 1.29 -0.18 7.40 0.00 -0.54 -3.37 121.76 125.32 2dng s ALA 43 Ca 0.18 -1.10 -0.09 0.00 0.00 0.00 0.00 51.96 50.96 2dng s ALA 43 Cb -0.11 -0.09 -0.05 0.00 0.00 0.00 0.00 23.12 22.87 2dng s ALA 43 CO 0.09 0.15 0.11 -0.47 0.00 0.00 0.00 175.76 175.65 2dng s TYR 44 N -1.55 3.41 -0.08 0.00 6.14 0.60 -1.43 117.35 124.44 2dng s TYR 44 Ca 0.02 0.31 0.01 0.00 0.64 0.00 0.00 57.07 58.05 2dng s TYR 44 Cb -0.08 -2.08 0.02 0.00 0.42 0.00 0.00 41.96 40.23 2dng s TYR 44 CO 0.02 0.36 -0.09 0.08 0.64 0.00 0.00 175.55 176.57 2dng s VAL 45 N 0.03 0.96 0.20 3.14 1.01 -0.86 -0.76 120.40 124.11 2dng s VAL 45 Ca 0.09 -0.32 0.02 0.00 0.00 0.00 0.00 61.98 61.76 2dng s VAL 45 Cb -0.11 -0.94 -0.01 0.00 0.00 0.00 0.00 36.38 35.32 2dng s VAL 45 CO -0.00 0.33 0.06 0.61 0.00 0.00 0.00 175.10 176.10 2dng n GLY 46 N 4.33 3.73 2.85 4.51 0.00 -0.05 -1.84 105.19 118.71 2dng n GLY 46 Ca -0.19 -2.05 -0.17 0.00 0.00 0.00 0.00 46.02 43.62 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 -1.72 -5.01 -4.91 1.61 5.15 -1.08 -3.15 115.26 106.15 2dng n ASN 47 Ca -0.04 -0.31 -0.28 0.00 -0.60 0.00 0.00 54.58 53.35 2dng n ASN 47 Cb 0.29 -3.71 -0.03 0.00 -0.53 0.00 0.00 39.78 35.80 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 -5.25 4.11 0.77 1.20 1.43 -1.17 -4.57 118.68 115.20 2dng s LEU 48 Ca 0.34 0.62 -0.16 0.00 -1.03 0.00 0.00 54.13 53.89 2dng s LEU 48 Cb -0.15 -3.42 -0.07 0.00 0.03 0.00 0.00 46.19 42.58 2dng s LEU 48 CO 0.42 -0.15 0.12 -2.65 0.23 0.00 0.00 176.35 174.32 2dng n PRO 49 N -0.86 0.10 -0.33 1.29 -0.02 -1.26 -4.81 135.00 129.11 2dng n PRO 49 Ca -0.03 0.06 0.16 0.00 -2.02 0.00 0.00 63.50 61.67 2dng n PRO 49 Cb 0.54 -1.52 0.39 0.00 -0.02 0.00 0.00 33.50 32.89 2dng n PRO 49 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 2dng h PHE 50 N -0.61 0.91 -2.84 6.00 3.57 -1.97 -3.05 116.94 118.96 2dng h PHE 50 Ca -0.44 0.03 -0.63 0.00 3.53 0.00 0.00 57.97 60.46 2dng h PHE 50 Cb 1.35 -0.27 -0.41 0.00 2.79 0.00 0.00 35.95 39.41 2dng h PHE 50 CO 0.30 0.19 -0.46 -1.71 -2.23 0.00 0.00 178.31 174.40 2dng n ASN 51 N -4.70 3.54 -4.32 0.41 2.85 -1.26 -4.64 115.26 107.14 2dng n ASN 51 Ca 0.23 -3.28 -0.46 0.00 -0.11 0.00 0.00 54.58 50.96 2dng n ASN 51 Cb 0.65 -0.79 -0.05 0.00 1.24 0.00 0.00 39.78 40.83 2dng n ASN 51 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 2dng s THR 52 N -1.82 5.17 0.40 -0.44 2.01 -1.15 -5.03 115.64 114.77 2dng s THR 52 Ca 0.30 -1.50 -0.05 0.00 0.31 0.00 0.00 61.69 60.75 2dng s THR 52 Cb 0.02 -4.38 -0.05 0.00 0.01 0.00 0.00 72.50 68.10 2dng s THR 52 CO -0.11 -0.94 0.69 0.68 -0.69 0.00 0.00 174.62 174.25 2dng s VAL 53 N 1.68 4.94 0.23 3.82 -7.23 -1.26 -4.95 120.40 117.62 2dng s VAL 53 Ca 0.06 0.15 -0.05 0.00 -1.81 0.00 0.00 61.98 60.33 2dng s VAL 53 Cb -0.27 -3.80 0.36 0.00 0.56 0.00 0.00 36.38 33.23 2dng s VAL 53 CO 0.02 -0.60 1.24 1.67 -0.31 0.00 0.00 175.10 177.12 2dng n GLN 54 N -1.65 -0.07 -0.11 4.82 -0.06 -1.26 -0.36 117.38 118.68 2dng n GLN 54 Ca -0.00 1.23 -0.12 0.00 -2.00 0.00 0.00 57.00 56.10 2dng n GLN 54 Cb 0.55 -1.86 -0.09 0.00 -4.06 0.00 0.00 30.24 24.78 2dng n GLN 54 CO 0.00 0.00 0.00 0.78 -0.20 0.00 0.00 177.06 177.64 2dng h GLY 55 N 0.00 -1.12 -0.43 1.69 0.00 -2.00 -2.34 103.07 98.87 2dng h GLY 55 Ca 0.40 0.73 0.04 0.00 0.00 0.00 0.00 47.33 48.50 2dng h GLY 55 CO -0.80 -0.19 -0.25 1.22 0.00 0.00 0.00 176.54 176.51 2dng n ASP 56 N -5.08 -0.46 -0.19 0.19 9.92 0.51 0.28 116.55 121.73 2dng n ASP 56 Ca -0.03 1.08 -0.04 0.00 -0.53 0.00 0.00 54.79 55.27 2dng n ASP 56 Cb 0.31 -0.26 0.03 0.00 -0.64 0.00 0.00 41.12 40.56 2dng n ASP 56 CO 0.00 0.00 0.00 0.40 0.13 0.00 0.00 177.20 177.73 2dng h ILE 57 N 0.00 0.28 -0.72 0.53 1.08 -1.48 0.15 117.51 117.34 2dng h ILE 57 Ca 0.07 0.00 0.16 0.00 -0.39 0.00 0.00 64.86 64.69 2dng h ILE 57 Cb 0.18 0.28 -0.11 0.00 -3.07 0.00 0.00 36.82 34.09 2dng h ILE 57 CO -0.40 0.00 0.16 -0.78 -0.69 0.00 0.00 178.15 176.44 2dng h ASP 58 N -0.11 -0.01 -0.07 1.72 1.82 0.34 -0.11 116.42 120.01 2dng h ASP 58 Ca 0.25 0.15 -0.01 0.00 -0.39 0.00 0.00 57.03 57.02 2dng h ASP 58 Cb 0.51 0.20 -0.00 0.00 0.68 0.00 0.00 39.33 40.71 2dng h ASP 58 CO -0.63 -0.04 -0.01 0.00 -1.61 0.00 0.00 179.24 176.95 2dng h ALA 59 N 1.60 0.09 -0.16 -0.78 0.00 0.61 0.61 119.26 121.23 2dng h ALA 59 Ca 0.40 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 55.17 2dng h ALA 59 Cb 0.68 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.38 2dng h ALA 59 CO -0.51 -0.21 -0.32 0.82 0.00 0.00 0.00 179.25 179.04 2dng h ILE 60 N -0.20 0.29 -0.80 0.00 2.04 0.21 -2.13 117.51 116.92 2dng h ILE 60 Ca 0.02 0.00 -0.48 0.00 1.00 0.00 0.00 64.86 65.40 2dng h ILE 60 Cb 0.38 0.29 -0.26 0.00 -0.74 0.00 0.00 36.82 36.49 2dng h ILE 60 CO 0.01 0.00 0.37 0.49 0.00 0.00 0.00 178.15 179.02 2dng n PHE 61 N -5.41 2.57 -0.22 1.37 3.72 -0.15 -4.67 117.46 114.67 2dng n PHE 61 Ca -0.03 -2.16 -0.03 0.00 -0.05 0.00 0.00 57.45 55.19 2dng n PHE 61 Cb 0.33 -0.91 0.08 0.00 -0.94 0.00 0.00 39.48 38.04 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 1.40 0.66 -0.99 -1.08 2.10 0.95 -1.91 116.57 117.70 2dng h LYS 62 Ca 0.50 -0.04 0.05 0.00 -2.00 0.00 0.00 60.65 59.16 2dng h LYS 62 Cb 1.85 -0.15 -0.06 0.00 -0.90 0.00 0.00 32.23 32.97 2dng h LYS 62 CO 1.02 0.43 0.64 -0.44 -2.00 0.00 0.00 179.45 179.11 2dng h ASP 63 N 0.68 1.05 -4.07 7.07 3.32 -1.82 -3.43 116.42 119.21 2dng h ASP 63 Ca 0.28 0.00 -0.45 0.00 0.02 0.00 0.00 57.03 56.88 2dng h ASP 63 Cb 0.14 -0.23 0.15 0.00 0.22 0.00 0.00 39.33 39.61 2dng h ASP 63 CO -0.16 0.69 0.33 -0.76 -1.72 0.00 0.00 179.24 177.62 2dng s LEU 64 N -10.16 2.09 -0.55 1.55 1.43 -0.72 -5.01 118.68 107.31 2dng s LEU 64 Ca -0.13 0.62 -0.17 0.00 -1.03 0.00 0.00 54.13 53.42 2dng s LEU 64 Cb 0.19 -2.75 0.11 0.00 0.03 0.00 0.00 46.19 43.78 2dng s LEU 64 CO 0.81 -2.83 0.57 -0.55 0.23 0.00 0.00 176.35 174.58 2dng s SER 65 N -4.40 6.19 -0.47 2.29 0.15 -1.26 -5.00 113.70 111.19 2dng s SER 65 Ca 0.69 -1.57 -0.21 0.00 0.70 0.00 0.00 55.95 55.55 2dng s SER 65 Cb -0.09 -2.25 0.03 0.00 -1.71 0.00 0.00 66.02 62.00 2dng s SER 65 CO 0.53 -0.94 0.71 -0.63 1.20 0.00 0.00 173.24 174.11 2dng s ILE 66 N 2.06 4.74 0.02 6.45 1.01 -1.26 -2.96 121.20 131.26 2dng s ILE 66 Ca 0.07 0.09 -0.25 0.00 0.00 0.00 0.00 60.65 60.56 2dng s ILE 66 Cb -0.27 -4.29 -0.18 0.00 0.01 0.00 0.00 42.46 37.73 2dng s ILE 66 CO 0.05 -0.73 1.44 -0.09 0.00 0.00 0.00 174.94 175.61 2dng h ARG 67 N 8.98 -0.05 -2.04 2.79 9.65 -1.33 -3.47 114.38 128.91 2dng h ARG 67 Ca -0.26 0.00 0.08 0.00 -1.10 0.00 0.00 59.98 58.71 2dng h ARG 67 Cb 1.09 0.01 -0.18 0.00 -1.39 0.00 0.00 29.97 29.50 2dng h ARG 67 CO 0.95 0.24 0.48 0.45 2.80 0.00 0.00 179.97 184.89 2dng s SER 68 N -5.43 -0.40 -0.06 -3.80 0.15 -1.20 -4.99 113.70 97.96 2dng s SER 68 Ca -0.15 0.19 0.05 0.00 0.70 0.00 0.00 55.95 56.75 2dng s SER 68 Cb 0.03 0.38 -0.01 0.00 -1.71 0.00 0.00 66.02 64.71 2dng s SER 68 CO 0.65 -0.54 -0.23 -0.69 1.20 0.00 0.00 173.24 173.64 2dng s VAL 69 N -2.31 1.90 -0.26 4.45 1.01 -1.26 -0.12 120.40 123.81 2dng s VAL 69 Ca 0.01 -0.97 0.02 0.00 0.00 0.00 0.00 61.98 61.04 2dng s VAL 69 Cb -0.01 -1.62 0.06 0.00 0.00 0.00 0.00 36.38 34.81 2dng s VAL 69 CO -0.04 0.53 -0.06 -0.13 0.00 0.00 0.00 175.10 175.40 2dng s ARG 70 N 0.02 1.83 0.16 2.72 0.52 -0.19 -5.03 118.95 118.98 2dng s ARG 70 Ca -0.07 -1.21 -0.08 0.00 -0.52 0.00 0.00 55.73 53.85 2dng s ARG 70 Cb -0.14 -2.74 -0.06 0.00 0.52 0.00 0.00 34.95 32.52 2dng s ARG 70 CO 0.05 -0.63 0.44 -0.51 0.02 0.00 0.00 175.30 174.67 2dng s LEU 71 N 1.24 4.25 -0.02 2.53 1.43 -1.26 -1.55 118.68 125.30 2dng s LEU 71 Ca -0.05 0.75 0.03 0.00 -1.03 0.00 0.00 54.13 53.83 2dng s LEU 71 Cb -0.19 -3.36 -0.03 0.00 0.03 0.00 0.00 46.19 42.63 2dng s LEU 71 CO -0.06 0.04 -0.08 -0.69 0.23 0.00 0.00 176.35 175.78 2dng s VAL 72 N -1.65 3.56 0.20 -1.59 1.01 -1.26 -5.01 120.40 115.65 2dng s VAL 72 Ca 0.41 -0.70 0.01 0.00 0.00 0.00 0.00 61.98 61.71 2dng s VAL 72 Cb -0.12 -2.50 -0.05 0.00 0.00 0.00 0.00 36.38 33.71 2dng s VAL 72 CO 0.22 0.47 0.03 -0.13 0.00 0.00 0.00 175.10 175.70 2dng s ARG 73 N -1.16 1.19 0.60 2.72 0.52 -1.26 -3.41 118.95 118.15 2dng s ARG 73 Ca 0.15 -1.60 -0.08 0.00 -0.52 0.00 0.00 55.73 53.68 2dng s ARG 73 Cb -0.11 -0.22 -0.01 0.00 0.52 0.00 0.00 34.95 35.13 2dng s ARG 73 CO 0.05 -0.19 0.95 0.34 0.02 0.00 0.00 175.30 176.47 2dng s ASP 74 N -3.20 5.85 0.00 0.23 -1.08 -1.25 -4.88 116.67 112.33 2dng s ASP 74 Ca 0.28 1.02 0.25 0.00 -0.52 0.00 0.00 52.55 53.59 2dng s ASP 74 Cb 0.07 -2.05 0.51 0.00 -1.46 0.00 0.00 42.92 39.99 2dng s ASP 74 CO 0.07 -0.98 1.43 1.17 0.52 0.00 0.00 175.17 177.38 2dng n LYS 75 N -2.65 1.70 -0.04 4.34 4.81 -1.26 -2.21 118.16 122.85 2dng n LYS 75 Ca 0.05 -1.24 -0.06 0.00 -0.87 0.00 0.00 58.31 56.18 2dng n LYS 75 Cb 0.56 -1.47 -0.04 0.00 0.02 0.00 0.00 35.03 34.10 2dng n LYS 75 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 2dng n ASP 76 N 0.44 3.31 -0.08 3.14 5.75 -1.26 -4.82 116.55 123.02 2dng n ASP 76 Ca 0.14 -0.05 -0.11 0.00 -0.01 0.00 0.00 54.79 54.77 2dng n ASP 76 Cb 0.46 -0.10 -0.08 0.00 -1.03 0.00 0.00 41.12 40.37 2dng n ASP 76 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 2dng n THR 77 N -2.73 0.96 -2.95 2.12 -2.24 -1.26 -5.03 114.28 103.15 2dng n THR 77 Ca -0.15 -0.41 -0.12 0.00 -2.27 0.00 0.00 64.05 61.09 2dng n THR 77 Cb 0.67 -1.01 0.03 0.00 -2.10 0.00 0.00 70.33 67.92 2dng n THR 77 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2dng n ASP 78 N -2.90 -4.20 -4.37 3.42 9.92 -0.94 -4.92 116.55 112.56 2dng n ASP 78 Ca -0.28 -0.24 -0.30 0.00 -0.53 0.00 0.00 54.79 53.44 2dng n ASP 78 Cb 0.84 -2.87 -0.14 0.00 -0.64 0.00 0.00 41.12 38.32 2dng n ASP 78 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 2dng s LYS 79 N -5.52 1.71 -0.26 -1.24 1.02 -1.26 -4.71 119.74 109.46 2dng s LYS 79 Ca 0.26 -1.17 -0.43 0.00 0.02 0.00 0.00 55.97 54.65 2dng s LYS 79 Cb -0.12 -1.98 -0.19 0.00 -0.52 0.00 0.00 37.83 35.03 2dng s LYS 79 CO 0.33 0.49 1.48 0.34 -0.92 0.00 0.00 175.35 177.07 2dng n PHE 80 N 1.46 1.54 0.04 3.18 7.35 -1.26 -3.86 117.46 125.91 2dng n PHE 80 Ca -0.17 0.93 -0.14 0.00 -0.76 0.00 0.00 57.45 57.30 2dng n PHE 80 Cb 0.52 -2.26 -0.04 0.00 0.35 0.00 0.00 39.48 38.05 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 4.99 0.52 0.00 -4.13 1.79 -1.89 -3.48 116.57 114.37 2dng h LYS 81 Ca -0.47 -0.51 0.00 0.00 -2.18 0.00 0.00 60.65 57.50 2dng h LYS 81 Cb 1.37 0.13 0.00 0.00 -1.58 0.00 0.00 32.23 32.15 2dng h LYS 81 CO 0.88 1.14 0.00 0.41 -1.08 0.00 0.00 179.45 180.79 2dng n GLY 82 N 0.84 0.42 3.38 3.86 0.00 -1.26 -5.07 105.19 107.35 2dng n GLY 82 Ca -0.07 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.16 -0.51 0.27 1.61 -0.71 -1.26 -2.62 117.98 113.59 2dng s PHE 83 Ca 0.00 1.20 -0.06 0.00 -1.04 0.00 0.00 56.93 57.02 2dng s PHE 83 Cb 0.00 0.19 -0.01 0.00 -1.21 0.00 0.00 43.02 41.99 2dng s PHE 83 CO 0.00 -0.29 0.39 0.00 -1.34 0.00 0.00 175.22 173.98 2dng s TYR 85 N -3.72 2.89 -0.20 0.00 1.51 -0.60 -2.04 117.35 115.19 2dng s TYR 85 Ca 0.29 -0.80 -0.04 0.00 -1.01 0.00 0.00 57.07 55.51 2dng s TYR 85 Cb 0.01 -1.97 -0.02 0.00 -0.11 0.00 0.00 41.96 39.88 2dng s TYR 85 CO 0.14 -0.37 -0.03 0.08 -1.11 0.00 0.00 175.55 174.26 2dng s VAL 86 N 0.87 3.64 0.24 0.71 1.01 -0.51 -1.02 120.40 125.34 2dng s VAL 86 Ca -0.02 -0.42 -0.05 0.00 0.00 0.00 0.00 61.98 61.49 2dng s VAL 86 Cb -0.15 -2.64 -0.06 0.00 0.00 0.00 0.00 36.38 33.54 2dng s VAL 86 CO 0.00 0.43 0.51 -0.70 0.00 0.00 0.00 175.10 175.35 2dng s GLU 87 N 1.12 3.65 0.14 2.72 2.12 0.83 -1.46 118.70 127.83 2dng s GLU 87 Ca 0.02 0.01 0.05 0.00 0.36 0.00 0.00 54.97 55.41 2dng s GLU 87 Cb -0.15 -2.70 -0.04 0.00 0.26 0.00 0.00 34.13 31.50 2dng s GLU 87 CO 0.00 0.30 -0.12 -0.06 -0.54 0.00 0.00 175.26 174.84 2dng s PHE 88 N -1.93 1.35 -0.00 5.30 0.08 -0.42 -1.00 117.98 121.35 2dng s PHE 88 Ca 0.44 -0.65 -0.09 0.00 0.12 0.00 0.00 56.93 56.75 2dng s PHE 88 Cb -0.11 -0.69 -0.05 0.00 -0.57 0.00 0.00 43.02 41.61 2dng s PHE 88 CO 0.27 0.13 0.71 0.22 -0.10 0.00 0.00 175.22 176.45 2dng h ASP 89 N 3.07 -0.26 -1.08 1.36 1.82 -1.82 -3.35 116.42 116.16 2dng h ASP 89 Ca -0.38 0.01 -0.51 0.00 -0.39 0.00 0.00 57.03 55.76 2dng h ASP 89 Cb 1.20 0.07 -0.02 0.00 0.68 0.00 0.00 39.33 41.25 2dng h ASP 89 CO 0.58 -0.11 -0.29 -1.61 -1.61 0.00 0.00 179.24 176.20 2dng s GLU 90 N -2.92 2.43 0.11 0.28 0.41 -1.26 -4.61 118.70 113.12 2dng s GLU 90 Ca -0.05 -1.68 -0.16 0.00 -0.41 0.00 0.00 54.97 52.67 2dng s GLU 90 Cb 0.00 -2.37 -0.05 0.00 -1.78 0.00 0.00 34.13 29.93 2dng s GLU 90 CO 0.14 -0.46 1.51 -0.24 -0.49 0.00 0.00 175.26 175.72 2dng h VAL 91 N 0.75 1.28 -0.98 2.63 3.04 -1.95 -3.25 116.25 117.77 2dng h VAL 91 Ca -0.38 -1.11 0.09 0.00 -1.01 0.00 0.00 66.70 64.30 2dng h VAL 91 Cb 1.28 1.32 -0.12 0.00 -2.01 0.00 0.00 31.29 31.76 2dng h VAL 91 CO 0.53 0.36 -0.57 -0.78 -1.01 0.00 0.00 177.57 176.10 2dng h ASP 92 N 0.42 -2.08 -0.95 3.17 3.58 -1.98 0.56 116.42 119.13 2dng h ASP 92 Ca 0.09 0.32 0.29 0.00 0.42 0.00 0.00 57.03 58.15 2dng h ASP 92 Cb 0.56 0.93 -0.17 0.00 1.72 0.00 0.00 39.33 42.38 2dng h ASP 92 CO 0.03 -0.24 0.23 0.28 -2.88 0.00 0.00 179.24 176.66 2dng h SER 93 N -0.02 -0.10 0.34 2.28 0.02 -1.93 0.28 113.55 114.43 2dng h SER 93 Ca 0.18 0.24 -0.02 0.00 -0.84 0.00 0.00 61.79 61.35 2dng h SER 93 Cb 0.44 0.35 0.00 0.00 0.14 0.00 0.00 62.40 63.33 2dng h SER 93 CO -0.93 -0.29 -0.16 0.25 -1.14 0.00 0.00 176.83 174.55 2dng h LEU 94 N 0.09 -0.39 -1.90 5.07 5.85 -0.15 -1.24 115.31 122.64 2dng h LEU 94 Ca 0.64 -0.09 0.48 0.00 0.84 0.00 0.00 57.88 59.75 2dng h LEU 94 Cb 1.42 0.10 -0.08 0.00 0.37 0.00 0.00 40.66 42.47 2dng h LEU 94 CO -0.78 0.07 1.16 0.50 -0.34 0.00 0.00 178.44 179.05 2dng h LYS 95 N -1.06 0.02 0.15 1.25 3.64 0.52 0.64 116.57 121.74 2dng h LYS 95 Ca -0.05 -0.00 -0.31 0.00 -1.27 0.00 0.00 60.65 59.02 2dng h LYS 95 Cb 0.45 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 2dng h LYS 95 CO 0.08 0.01 -1.57 1.49 -2.27 0.00 0.00 179.45 177.19 2dng h GLU 96 N 0.02 0.33 0.00 1.90 4.81 -0.98 -3.31 114.58 117.35 2dng h GLU 96 Ca 0.80 -0.56 0.00 0.00 -0.13 0.00 0.00 59.36 59.47 2dng h GLU 96 Cb 3.12 0.21 0.00 0.00 0.63 0.00 0.00 28.75 32.70 2dng h GLU 96 CO -0.07 1.27 0.00 0.00 -0.73 0.00 0.00 179.01 179.48 2dng h ALA 97 N 0.04 1.00 -0.10 2.92 0.00 0.15 -1.68 119.26 121.59 2dng h ALA 97 Ca -0.32 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.41 2dng h ALA 97 Cb 1.93 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.72 2dng h ALA 97 CO 0.13 0.00 -0.69 -0.07 0.00 0.00 0.00 179.25 178.62 2dng h LEU 98 N 0.00 0.49 0.00 0.00 3.38 -1.16 -2.88 115.31 115.15 2dng h LEU 98 Ca 0.00 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.66 2dng h LEU 98 Cb 0.09 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.70 2dng h LEU 98 CO 0.00 1.04 0.00 0.35 0.09 0.00 0.00 178.44 179.92 2dng n THR 99 N -3.86 1.35 1.67 0.22 -2.24 -0.63 -1.47 114.28 109.32 2dng n THR 99 Ca -0.04 0.34 0.13 0.00 -2.27 0.00 0.00 64.05 62.21 2dng n THR 99 Cb 0.68 -1.19 0.61 0.00 -2.10 0.00 0.00 70.33 68.33 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 -1.49 0.05 -1.00 4.78 4.02 -1.09 -4.28 117.16 118.16 2dng n TYR 100 Ca 0.02 -0.02 -0.13 0.00 -0.01 0.00 0.00 57.90 57.76 2dng n TYR 100 Cb 0.10 0.00 -0.13 0.00 -0.02 0.00 0.00 39.34 39.30 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 -0.30 5.46 0.00 7.72 5.75 -0.54 -3.63 116.55 131.01 2dng n ASP 101 Ca 0.19 -2.59 0.00 0.00 -0.01 0.00 0.00 54.79 52.38 2dng n ASP 101 Cb 0.22 -1.34 0.00 0.00 -1.03 0.00 0.00 41.12 38.97 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 2.08 0.14 3.15 6.12 0.00 -1.12 -4.77 105.19 110.79 2dng n GLY 102 Ca 0.38 -0.08 -0.27 0.00 0.00 0.00 0.00 46.02 46.05 2dng n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dng n ALA 103 N -0.92 -2.89 -3.10 4.61 0.00 -1.24 -4.62 120.51 112.35 2dng n ALA 103 Ca 0.00 -1.24 -0.33 0.00 0.00 0.00 0.00 53.44 51.87 2dng n ALA 103 Cb 0.00 -1.22 -0.14 0.00 0.00 0.00 0.00 19.45 18.08 2dng n ALA 103 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2dng s LEU 104 N -0.70 2.73 -0.55 0.00 1.43 -1.26 -2.03 118.68 118.29 2dng s LEU 104 Ca 0.48 -0.33 -0.10 0.00 -1.03 0.00 0.00 54.13 53.15 2dng s LEU 104 Cb -0.08 -1.62 0.14 0.00 0.03 0.00 0.00 46.19 44.66 2dng s LEU 104 CO 0.52 0.16 0.43 -0.22 0.23 0.00 0.00 176.35 177.47 2dng s LEU 105 N 0.39 5.83 0.00 1.79 2.96 0.27 -4.90 118.68 125.02 2dng s LEU 105 Ca -0.10 -2.15 0.00 0.00 -0.22 0.00 0.00 54.13 51.65 2dng s LEU 105 Cb -0.16 -2.03 0.00 0.00 0.50 0.00 0.00 46.19 44.50 2dng s LEU 105 CO 0.05 -0.64 0.00 0.61 -1.32 0.00 0.00 176.35 175.05 2dng n GLY 106 N 4.59 2.32 2.03 7.98 0.00 -1.26 -1.13 105.19 119.72 2dng n GLY 106 Ca -0.03 0.27 -0.06 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 10.87 4.93 -2.14 1.61 9.92 -1.26 -4.95 116.55 135.54 2dng n ASP 107 Ca 0.00 -3.20 -0.08 0.00 -0.53 0.00 0.00 54.79 50.98 2dng n ASP 107 Cb 0.00 -0.75 -0.01 0.00 -0.64 0.00 0.00 41.12 39.72 2dng n ASP 107 CO 0.00 0.00 0.00 -2.11 0.13 0.00 0.00 177.20 175.22 2dng n ARG 108 N -0.09 0.48 -4.17 -1.24 1.85 -0.29 -5.17 116.66 108.03 2dng n ARG 108 Ca 0.41 -1.56 -0.24 0.00 -1.00 0.00 0.00 57.85 55.45 2dng n ARG 108 Cb 1.39 1.60 -0.07 0.00 -1.05 0.00 0.00 32.46 34.32 2dng n ARG 108 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 2dng s SER 109 N -2.26 4.42 -0.07 2.89 0.15 -1.26 0.96 113.70 118.53 2dng s SER 109 Ca 0.15 -0.99 0.00 0.00 0.70 0.00 0.00 55.95 55.81 2dng s SER 109 Cb -0.01 -0.55 -0.03 0.00 -1.71 0.00 0.00 66.02 63.72 2dng s SER 109 CO 0.11 -0.42 -0.05 -0.76 1.20 0.00 0.00 173.24 173.32 2dng s LEU 110 N -3.85 3.27 -0.31 3.45 1.43 -0.86 -4.56 118.68 117.25 2dng s LEU 110 Ca 0.39 0.01 -0.01 0.00 -1.03 0.00 0.00 54.13 53.49 2dng s LEU 110 Cb 0.02 -1.73 0.10 0.00 0.03 0.00 0.00 46.19 44.60 2dng s LEU 110 CO 0.22 0.36 0.09 -0.60 0.23 0.00 0.00 176.35 176.66 2dng s ARG 111 N -0.87 0.70 -0.29 1.70 6.06 -1.19 -2.81 118.95 122.26 2dng s ARG 111 Ca 0.13 -1.04 -0.02 0.00 -2.50 0.00 0.00 55.73 52.30 2dng s ARG 111 Cb -0.11 -1.97 0.04 0.00 0.06 0.00 0.00 34.95 32.97 2dng s ARG 111 CO 0.02 -0.97 -0.01 0.08 -2.50 0.00 0.00 175.30 171.92 2dng s VAL 112 N 1.63 3.00 0.18 7.11 1.01 -1.26 -0.88 120.40 131.20 2dng s VAL 112 Ca 0.09 -1.28 0.10 0.00 0.00 0.00 0.00 61.98 60.89 2dng s VAL 112 Cb -0.17 -2.67 -0.04 0.00 0.00 0.00 0.00 36.38 33.49 2dng s VAL 112 CO -0.25 -0.03 -0.21 -0.62 0.00 0.00 0.00 175.10 173.98 2dng s ASP 113 N 1.28 3.09 -0.11 3.32 2.15 0.06 -4.46 116.67 122.01 2dng s ASP 113 Ca -0.04 -0.87 -0.29 0.00 0.43 0.00 0.00 52.55 51.78 2dng s ASP 113 Cb -0.19 -0.21 -0.05 0.00 -0.30 0.00 0.00 42.92 42.17 2dng s ASP 113 CO -0.02 0.05 1.70 -0.63 -0.17 0.00 0.00 175.17 176.10 2dng s ILE 114 N -1.87 3.54 -1.20 4.11 1.01 -1.26 -0.29 121.20 125.24 2dng s ILE 114 Ca 0.19 0.64 -0.19 0.00 0.00 0.00 0.00 60.65 61.28 2dng s ILE 114 Cb -0.07 -3.47 0.07 0.00 0.01 0.00 0.00 42.46 39.00 2dng s ILE 114 CO 0.09 -0.13 1.62 0.00 0.00 0.00 0.00 174.94 176.52 2dng s ALA 115 N 4.70 3.16 -0.78 9.38 0.00 -1.22 -4.77 121.76 132.23 2dng s ALA 115 Ca 0.76 -2.73 -0.02 0.00 0.00 0.00 0.00 51.96 49.97 2dng s ALA 115 Cb -0.31 -4.57 0.36 0.00 0.00 0.00 0.00 23.12 18.60 2dng s ALA 115 CO 0.31 -3.37 2.06 -1.91 0.00 0.00 0.00 175.76 172.85 2dng n GLU 116 N 8.38 2.71 0.00 0.00 4.07 -1.26 -4.77 120.64 129.77 2dng n GLU 116 Ca 0.43 -3.39 0.00 0.00 -0.06 0.00 0.00 57.16 54.14 2dng n GLU 116 Cb 0.48 -2.26 0.00 0.00 -0.06 0.00 0.00 31.44 29.59 2dng n GLU 116 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2dng n GLY 117 N -0.58 2.89 3.07 8.31 0.00 -1.26 -4.33 105.19 113.29 2dng n GLY 117 Ca 0.56 0.25 -0.00 0.00 0.00 0.00 0.00 46.02 46.83 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 0.00 0.50 -0.02 1.61 3.52 -1.26 -5.13 118.95 118.17 2dng s ARG 118 Ca 0.00 0.68 -0.35 0.00 -0.13 0.00 0.00 55.73 55.93 2dng s ARG 118 Cb 0.00 0.16 -0.13 0.00 -1.56 0.00 0.00 34.95 33.42 2dng s ARG 118 CO 0.00 -0.79 1.75 0.36 -0.81 0.00 0.00 175.30 175.81 2dng n LYS 119 N 5.40 2.01 -3.37 5.12 2.85 -1.26 -4.95 118.16 123.95 2dng n LYS 119 Ca 0.00 0.73 -0.11 0.00 -1.05 0.00 0.00 58.31 57.88 2dng n LYS 119 Cb 0.51 -2.53 -0.09 0.00 -0.65 0.00 0.00 35.03 32.28 2dng n LYS 119 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 2dng s GLN 120 N 2.89 0.33 0.23 -1.58 -0.21 -1.26 -5.13 119.66 114.92 2dng s GLN 120 Ca 0.89 0.38 -0.31 0.00 0.02 0.00 0.00 55.36 56.34 2dng s GLN 120 Cb -0.74 -0.60 -0.10 0.00 1.00 0.00 0.00 33.01 32.56 2dng s GLN 120 CO 0.49 -0.72 1.52 0.34 -2.12 0.00 0.00 175.29 174.81 2dng s ASP 121 N 2.49 6.56 0.23 5.90 -1.08 -1.26 -4.91 116.67 124.60 2dng s ASP 121 Ca 0.11 2.72 -0.06 0.00 -0.52 0.00 0.00 52.55 54.80 2dng s ASP 121 Cb -0.15 -2.62 0.22 0.00 -1.46 0.00 0.00 42.92 38.91 2dng s ASP 121 CO -0.18 -0.80 1.78 0.50 0.52 0.00 0.00 175.17 176.99 2dng h LYS 122 N 5.62 1.08 -6.57 4.34 3.11 -2.03 -3.46 116.57 118.65 2dng h LYS 122 Ca -0.45 -0.22 -0.52 0.00 -2.81 0.00 0.00 60.65 56.65 2dng h LYS 122 Cb 1.21 -0.16 -0.09 0.00 -1.00 0.00 0.00 32.23 32.19 2dng h LYS 122 CO 0.83 0.92 -0.88 0.43 -2.81 0.00 0.00 179.45 177.94 2dng n SER 123 N -4.26 -0.95 -3.81 4.20 7.64 -1.26 -4.94 113.62 110.24 2dng n SER 123 Ca 0.06 -1.02 -0.30 0.00 1.01 0.00 0.00 58.87 58.62 2dng n SER 123 Cb 0.22 -2.94 -0.15 0.00 -1.01 0.00 0.00 64.21 60.34 2dng n SER 123 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dng s GLY 124 N -4.13 1.47 -0.83 0.23 0.00 -1.26 -5.07 107.32 97.73 2dng s GLY 124 Ca 0.17 -2.14 -0.25 0.00 0.00 0.00 0.00 44.72 42.50 2dng s GLY 124 CO 0.90 1.40 1.72 2.56 0.00 0.00 0.00 173.10 179.68 2dng s PRO 125 N 1.11 2.88 1.30 2.90 0.04 -1.26 -4.98 135.00 137.00 2dng s PRO 125 Ca 0.12 -0.23 -0.17 0.00 0.04 0.00 0.00 61.00 60.76 2dng s PRO 125 Cb -0.19 -4.82 0.33 0.00 0.04 0.00 0.00 34.50 29.85 2dng s PRO 125 CO -0.15 -2.79 0.97 0.45 0.04 0.00 0.00 177.00 175.53 2dng s SER 126 N 6.79 -0.15 -0.29 6.66 0.15 -1.26 -5.07 113.70 120.54 2dng s SER 126 Ca 0.59 1.23 -0.17 0.00 0.70 0.00 0.00 55.95 58.30 2dng s SER 126 Cb -0.07 -1.87 0.13 0.00 -1.71 0.00 0.00 66.02 62.50 2dng s SER 126 CO 0.05 -4.85 0.93 -0.55 1.20 0.00 0.00 173.24 170.02 2dng s SER 127 N -2.71 -0.58 0.00 5.45 0.15 -1.26 -5.31 113.70 109.44 2dng s SER 127 Ca 0.69 0.95 0.00 0.00 0.70 0.00 0.00 55.95 58.29 2dng s SER 127 Cb -0.21 1.19 0.00 0.00 -1.71 0.00 0.00 66.02 65.30 2dng s SER 127 CO 0.62 -0.15 0.00 0.61 1.20 0.00 0.00 173.24 175.52