#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 1.33 -0.09 1.61 0.01 -1.26 -5.15 113.70 110.15 2dng s SER 27 Ca 0.00 -0.94 0.03 0.00 1.31 0.00 0.00 55.95 56.35 2dng s SER 27 Cb 0.00 0.05 0.01 0.00 0.21 0.00 0.00 66.02 66.29 2dng s SER 27 CO 0.00 -0.38 -0.19 -0.55 0.41 0.00 0.00 173.24 172.53 2dng s SER 28 N -2.87 2.59 -0.05 2.44 0.15 -1.26 -5.13 113.70 109.57 2dng s SER 28 Ca 0.10 -0.46 0.02 0.00 0.70 0.00 0.00 55.95 56.31 2dng s SER 28 Cb 0.02 -1.19 0.02 0.00 -1.71 0.00 0.00 66.02 63.16 2dng s SER 28 CO -0.02 0.11 -0.09 -0.83 1.20 0.00 0.00 173.24 173.60 2dng s GLY 29 N 0.50 0.66 -0.05 9.45 0.00 -1.26 -5.04 107.32 111.57 2dng s GLY 29 Ca -0.17 -0.28 -0.23 0.00 0.00 0.00 0.00 44.72 44.04 2dng s GLY 29 CO 0.06 0.20 0.95 1.76 0.00 0.00 0.00 173.10 176.08 2dng h SER 30 N 6.98 -0.12 -2.90 1.64 0.02 -2.04 -3.41 113.55 113.72 2dng h SER 30 Ca -0.34 -0.46 -0.55 0.00 -0.84 0.00 0.00 61.79 59.61 2dng h SER 30 Cb 1.17 0.03 -0.07 0.00 0.14 0.00 0.00 62.40 63.68 2dng h SER 30 CO 0.48 0.47 1.05 -0.44 -1.14 0.00 0.00 176.83 177.24 2dng s SER 31 N -5.61 6.25 0.00 3.07 0.01 -1.26 -4.88 113.70 111.28 2dng s SER 31 Ca -0.14 0.11 0.00 0.00 1.31 0.00 0.00 55.95 57.23 2dng s SER 31 Cb 0.00 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.68 2dng s SER 31 CO 0.54 -1.64 0.00 0.61 0.41 0.00 0.00 173.24 173.16 2dng n GLY 32 N 5.20 5.03 3.14 3.44 0.00 -1.26 -5.13 105.19 115.61 2dng n GLY 32 Ca 0.10 -0.66 -0.37 0.00 0.00 0.00 0.00 46.02 45.08 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 0.00 0.01 -3.46 1.61 5.02 -1.26 -4.90 118.16 115.18 2dng n LYS 33 Ca 0.00 0.01 -0.39 0.00 -2.02 0.00 0.00 58.31 55.91 2dng n LYS 33 Cb 0.00 -1.11 -0.10 0.00 -0.02 0.00 0.00 35.03 33.80 2dng n LYS 33 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 2dng s GLU 34 N -1.80 3.87 0.18 1.97 2.56 -1.26 -5.08 118.70 119.13 2dng s GLU 34 Ca 0.49 -0.21 0.03 0.00 0.00 0.00 0.00 54.97 55.28 2dng s GLU 34 Cb -0.30 -3.70 -0.03 0.00 2.00 0.00 0.00 34.13 32.09 2dng s GLU 34 CO 0.74 -0.31 0.31 -0.51 -0.56 0.00 0.00 175.26 174.94 2dng s LEU 35 N 1.95 4.32 0.08 2.70 1.43 -1.26 -5.04 118.68 122.86 2dng s LEU 35 Ca 0.11 0.17 -0.37 0.00 -1.03 0.00 0.00 54.13 53.02 2dng s LEU 35 Cb -0.16 -2.93 -0.17 0.00 0.03 0.00 0.00 46.19 42.95 2dng s LEU 35 CO 0.11 0.01 1.20 -2.65 0.23 0.00 0.00 176.35 175.25 2dng n PRO 36 N -0.77 0.78 0.19 1.29 -0.02 -1.26 -4.86 135.00 130.36 2dng n PRO 36 Ca -0.07 0.28 0.07 0.00 -2.02 0.00 0.00 63.50 61.76 2dng n PRO 36 Cb 0.55 -1.84 0.33 0.00 -0.02 0.00 0.00 33.50 32.52 2dng n PRO 36 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 2dng h THR 37 N 3.04 0.75 -2.93 3.45 2.02 -1.96 -3.45 112.91 113.82 2dng h THR 37 Ca -0.47 -1.49 -0.09 0.00 0.77 0.00 0.00 66.41 65.13 2dng h THR 37 Cb 1.37 1.95 -0.18 0.00 -1.74 0.00 0.00 68.15 69.55 2dng h THR 37 CO 0.72 0.33 -0.13 -1.83 0.37 0.00 0.00 175.52 174.98 2dng s GLU 38 N -3.51 0.85 1.05 6.66 -1.05 -1.26 -5.17 118.70 116.27 2dng s GLU 38 Ca 0.01 -0.25 -0.13 0.00 -0.15 0.00 0.00 54.97 54.46 2dng s GLU 38 Cb 0.10 0.38 0.22 0.00 -0.44 0.00 0.00 34.13 34.39 2dng s GLU 38 CO 0.68 -0.27 1.08 -1.25 0.95 0.00 0.00 175.26 176.44 2dng s PRO 39 N -1.98 0.04 1.20 -4.83 0.04 -1.26 -4.75 135.00 123.45 2dng s PRO 39 Ca -0.08 0.58 -0.19 0.00 0.04 0.00 0.00 61.00 61.34 2dng s PRO 39 Cb -0.02 -1.69 0.28 0.00 0.04 0.00 0.00 34.50 33.12 2dng s PRO 39 CO 0.01 -3.01 1.11 -1.25 0.04 0.00 0.00 177.00 173.90 2dng s PRO 40 N -4.84 -1.19 -0.28 0.56 0.04 -1.26 -5.14 135.00 122.89 2dng s PRO 40 Ca 0.66 -0.06 0.02 0.00 0.04 0.00 0.00 61.00 61.67 2dng s PRO 40 Cb -0.20 -1.60 0.07 0.00 0.04 0.00 0.00 34.50 32.81 2dng s PRO 40 CO 0.59 -3.69 -0.04 0.71 0.04 0.00 0.00 177.00 174.61 2dng s TYR 41 N -3.01 3.00 0.01 0.56 2.02 -1.26 -5.04 117.35 113.64 2dng s TYR 41 Ca 0.71 -2.27 0.08 0.00 -0.37 0.00 0.00 57.07 55.22 2dng s TYR 41 Cb -0.10 -2.05 -0.03 0.00 -0.40 0.00 0.00 41.96 39.38 2dng s TYR 41 CO 0.56 -0.86 -0.24 0.99 -1.57 0.00 0.00 175.55 174.43 2dng s THR 42 N 1.18 2.32 0.03 -0.71 2.01 -1.26 -1.07 115.64 118.14 2dng s THR 42 Ca -0.02 -1.20 0.08 0.00 0.31 0.00 0.00 61.69 60.86 2dng s THR 42 Cb -0.19 -1.89 -0.02 0.00 0.01 0.00 0.00 72.50 70.41 2dng s THR 42 CO -0.08 0.45 -0.22 0.00 -0.69 0.00 0.00 174.62 174.08 2dng s ALA 43 N -0.76 1.90 -0.03 7.40 0.00 0.54 -3.92 121.76 126.89 2dng s ALA 43 Ca 0.12 -1.08 -0.19 0.00 0.00 0.00 0.00 51.96 50.81 2dng s ALA 43 Cb -0.10 -0.41 -0.05 0.00 0.00 0.00 0.00 23.12 22.56 2dng s ALA 43 CO 0.01 0.44 0.52 -0.47 0.00 0.00 0.00 175.76 176.27 2dng s TYR 44 N -0.72 3.65 -0.07 0.00 6.14 -0.60 -0.13 117.35 125.62 2dng s TYR 44 Ca 0.09 1.07 0.00 0.00 0.64 0.00 0.00 57.07 58.88 2dng s TYR 44 Cb -0.09 -2.52 0.02 0.00 0.42 0.00 0.00 41.96 39.79 2dng s TYR 44 CO 0.01 0.37 -0.06 0.08 0.64 0.00 0.00 175.55 176.60 2dng s VAL 45 N -0.19 0.73 0.44 3.14 1.01 -0.17 -1.55 120.40 123.80 2dng s VAL 45 Ca 0.28 -0.17 0.03 0.00 0.00 0.00 0.00 61.98 62.12 2dng s VAL 45 Cb -0.17 -0.76 -0.01 0.00 0.00 0.00 0.00 36.38 35.44 2dng s VAL 45 CO 0.15 0.29 0.10 0.61 0.00 0.00 0.00 175.10 176.25 2dng n GLY 46 N 4.45 3.33 2.58 4.51 0.00 -0.01 -1.11 105.19 118.94 2dng n GLY 46 Ca -0.18 -2.19 -0.13 0.00 0.00 0.00 0.00 46.02 43.53 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 -1.46 -4.28 -4.93 1.61 5.15 -1.20 -3.09 115.26 107.06 2dng n ASN 47 Ca -0.10 -0.27 -0.26 0.00 -0.60 0.00 0.00 54.58 53.35 2dng n ASN 47 Cb 0.62 -2.89 -0.02 0.00 -0.53 0.00 0.00 39.78 36.96 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 -4.25 4.10 0.98 1.20 1.43 -1.19 -4.63 118.68 116.31 2dng s LEU 48 Ca 0.29 0.50 -0.15 0.00 -1.03 0.00 0.00 54.13 53.75 2dng s LEU 48 Cb -0.13 -3.32 -0.03 0.00 0.03 0.00 0.00 46.19 42.75 2dng s LEU 48 CO 0.36 -0.18 -0.07 -2.65 0.23 0.00 0.00 176.35 174.04 2dng n PRO 49 N -1.16 -0.28 0.03 1.29 -0.02 -1.26 -4.89 135.00 128.71 2dng n PRO 49 Ca -0.04 -0.06 -0.11 0.00 -2.02 0.00 0.00 63.50 61.27 2dng n PRO 49 Cb 0.55 -1.55 -0.06 0.00 -0.02 0.00 0.00 33.50 32.42 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 -1.40 -0.10 -3.10 6.00 -1.00 -1.97 -3.28 116.94 112.08 2dng h PHE 50 Ca -0.44 0.01 -0.72 0.00 2.81 0.00 0.00 57.97 59.62 2dng h PHE 50 Cb 1.30 0.05 -0.34 0.00 3.61 0.00 0.00 35.95 40.57 2dng h PHE 50 CO 0.31 -0.07 0.08 0.27 -1.61 0.00 0.00 178.31 177.29 2dng n ASN 51 N -5.15 4.75 -4.66 2.17 0.23 -1.26 -4.64 115.26 106.70 2dng n ASN 51 Ca -0.06 -3.22 -0.36 0.00 -0.53 0.00 0.00 54.58 50.41 2dng n ASN 51 Cb 0.09 -1.08 -0.09 0.00 -2.08 0.00 0.00 39.78 36.61 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 -1.82 5.23 0.25 5.53 2.01 -1.24 -5.08 115.64 120.52 2dng s THR 52 Ca 0.31 0.13 0.10 0.00 0.31 0.00 0.00 61.69 62.54 2dng s THR 52 Cb -0.02 -3.42 -0.05 0.00 0.01 0.00 0.00 72.50 69.03 2dng s THR 52 CO -0.06 0.38 -0.10 0.68 -0.69 0.00 0.00 174.62 174.83 2dng s VAL 53 N 0.86 3.03 0.23 3.82 -7.23 -1.26 -5.02 120.40 114.82 2dng s VAL 53 Ca 0.07 -2.05 -0.08 0.00 -1.81 0.00 0.00 61.98 58.11 2dng s VAL 53 Cb -0.13 -2.58 0.35 0.00 0.56 0.00 0.00 36.38 34.58 2dng s VAL 53 CO 0.03 -0.33 1.32 1.67 -0.31 0.00 0.00 175.10 177.48 2dng n GLN 54 N -0.60 -0.10 -0.27 4.82 7.27 -1.26 -0.25 117.38 126.98 2dng n GLN 54 Ca -0.07 1.32 -0.09 0.00 0.07 0.00 0.00 57.00 58.23 2dng n GLN 54 Cb 0.59 -1.97 -0.05 0.00 2.41 0.00 0.00 30.24 31.21 2dng n GLN 54 CO 0.00 0.00 0.00 0.78 0.07 0.00 0.00 177.06 177.91 2dng h GLY 55 N 0.00 -0.59 -0.09 1.69 0.00 -1.98 0.72 103.07 102.82 2dng h GLY 55 Ca 0.39 0.65 0.01 0.00 0.00 0.00 0.00 47.33 48.38 2dng h GLY 55 CO -0.87 -0.10 -0.11 -1.80 0.00 0.00 0.00 176.54 173.66 2dng h ASP 56 N -0.17 -0.36 -0.50 0.19 1.82 -1.02 -0.58 116.42 115.79 2dng h ASP 56 Ca 0.18 0.05 0.09 0.00 -0.39 0.00 0.00 57.03 56.96 2dng h ASP 56 Cb 0.53 0.15 -0.10 0.00 0.68 0.00 0.00 39.33 40.59 2dng h ASP 56 CO -0.78 -0.07 -0.34 0.40 -1.61 0.00 0.00 179.24 176.83 2dng h ILE 57 N -0.07 0.18 -0.81 2.25 1.08 -1.41 0.65 117.51 119.38 2dng h ILE 57 Ca 0.01 0.00 0.24 0.00 -0.39 0.00 0.00 64.86 64.72 2dng h ILE 57 Cb 0.11 0.18 -0.03 0.00 -3.07 0.00 0.00 36.82 34.01 2dng h ILE 57 CO -0.12 0.00 0.73 -0.78 -0.69 0.00 0.00 178.15 177.29 2dng h ASP 58 N -0.21 0.00 0.19 1.72 3.58 -0.26 0.21 116.42 121.65 2dng h ASP 58 Ca 0.20 0.00 -0.35 0.00 0.42 0.00 0.00 57.03 57.30 2dng h ASP 58 Cb 0.55 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.59 2dng h ASP 58 CO -0.62 0.00 -1.85 0.00 -2.88 0.00 0.00 179.24 173.89 2dng h ALA 59 N 1.30 0.30 -0.70 -0.78 0.00 0.17 -2.89 119.26 116.68 2dng h ALA 59 Ca 0.39 -1.26 0.08 0.00 0.00 0.00 0.00 54.91 54.11 2dng h ALA 59 Cb 1.85 0.56 -0.06 0.00 0.00 0.00 0.00 17.79 20.13 2dng h ALA 59 CO -0.00 1.18 0.37 0.82 0.00 0.00 0.00 179.25 181.61 2dng h ILE 60 N 0.09 0.91 -0.58 0.00 2.04 0.21 -1.89 117.51 118.29 2dng h ILE 60 Ca -0.37 -0.22 -0.28 0.00 1.00 0.00 0.00 64.86 64.98 2dng h ILE 60 Cb 2.07 0.20 -0.17 0.00 -0.74 0.00 0.00 36.82 38.17 2dng h ILE 60 CO 0.14 0.12 0.18 0.49 0.00 0.00 0.00 178.15 179.08 2dng n PHE 61 N -4.82 1.80 -0.20 1.37 3.01 -0.70 -4.70 117.46 113.22 2dng n PHE 61 Ca 0.10 -1.63 0.01 0.00 1.01 0.00 0.00 57.45 56.94 2dng n PHE 61 Cb 0.23 -0.64 0.11 0.00 -0.01 0.00 0.00 39.48 39.17 2dng n PHE 61 CO 0.00 0.00 0.00 1.57 1.01 0.00 0.00 176.76 179.34 2dng h LYS 62 N 1.14 0.25 -0.64 -1.08 2.10 -1.11 -1.40 116.57 115.83 2dng h LYS 62 Ca 0.35 -0.02 0.13 0.00 -2.00 0.00 0.00 60.65 59.12 2dng h LYS 62 Cb 2.08 -0.06 -0.12 0.00 -0.90 0.00 0.00 32.23 33.24 2dng h LYS 62 CO 0.63 0.17 -0.08 0.22 -2.00 0.00 0.00 179.45 178.39 2dng h ASP 63 N 0.26 -0.45 -4.05 7.07 3.58 -1.84 -3.42 116.42 117.58 2dng h ASP 63 Ca 0.32 0.18 -0.45 0.00 0.42 0.00 0.00 57.03 57.50 2dng h ASP 63 Cb 0.48 0.34 0.15 0.00 1.72 0.00 0.00 39.33 42.02 2dng h ASP 63 CO -0.41 -0.17 0.27 -0.76 -2.88 0.00 0.00 179.24 175.29 2dng s LEU 64 N -10.79 1.83 -0.86 2.28 1.43 -0.53 -4.99 118.68 107.04 2dng s LEU 64 Ca -0.14 0.85 -0.13 0.00 -1.03 0.00 0.00 54.13 53.68 2dng s LEU 64 Cb 0.19 -3.03 0.23 0.00 0.03 0.00 0.00 46.19 43.61 2dng s LEU 64 CO 0.74 -2.90 0.81 -0.44 0.23 0.00 0.00 176.35 174.79 2dng s SER 65 N -4.04 6.83 0.16 2.29 0.01 -1.26 -5.00 113.70 112.69 2dng s SER 65 Ca 0.66 -2.81 -0.30 0.00 1.31 0.00 0.00 55.95 54.81 2dng s SER 65 Cb -0.13 -2.21 -0.07 0.00 0.21 0.00 0.00 66.02 63.82 2dng s SER 65 CO 0.54 -0.53 1.11 -0.63 0.41 0.00 0.00 173.24 174.14 2dng s ILE 66 N -0.03 3.88 -0.26 1.44 1.01 -1.26 -3.64 121.20 122.34 2dng s ILE 66 Ca 0.20 1.59 -0.11 0.00 0.00 0.00 0.00 60.65 62.32 2dng s ILE 66 Cb -0.10 -4.01 -0.14 0.00 0.01 0.00 0.00 42.46 38.21 2dng s ILE 66 CO -0.09 0.25 -0.24 -1.14 0.00 0.00 0.00 174.94 173.73 2dng n ARG 67 N 2.57 0.61 -3.63 2.79 0.63 -1.14 -4.89 116.66 113.60 2dng n ARG 67 Ca 0.03 0.27 -0.14 0.00 -0.92 0.00 0.00 57.85 57.10 2dng n ARG 67 Cb 0.46 -1.53 -0.06 0.00 0.45 0.00 0.00 32.46 31.77 2dng n ARG 67 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 2dng s SER 68 N -7.20 -0.38 -0.16 6.15 0.15 -1.25 -5.01 113.70 106.00 2dng s SER 68 Ca -0.36 0.19 -0.01 0.00 0.70 0.00 0.00 55.95 56.47 2dng s SER 68 Cb 0.12 0.45 0.04 0.00 -1.71 0.00 0.00 66.02 64.92 2dng s SER 68 CO 0.54 -0.64 -0.04 -0.69 1.20 0.00 0.00 173.24 173.61 2dng s VAL 69 N -2.06 0.99 -0.38 4.45 1.01 -1.26 0.17 120.40 123.32 2dng s VAL 69 Ca -0.08 -0.54 -0.15 0.00 0.00 0.00 0.00 61.98 61.21 2dng s VAL 69 Cb -0.01 -1.19 0.00 0.00 0.00 0.00 0.00 36.38 35.18 2dng s VAL 69 CO 0.01 0.12 0.35 -0.60 0.00 0.00 0.00 175.10 174.98 2dng s ARG 70 N 1.69 3.30 -0.34 2.72 6.06 0.44 -5.00 118.95 127.80 2dng s ARG 70 Ca 0.01 -0.68 -0.14 0.00 -2.50 0.00 0.00 55.73 52.42 2dng s ARG 70 Cb -0.15 -3.89 -0.01 0.00 0.06 0.00 0.00 34.95 30.96 2dng s ARG 70 CO -0.08 -0.65 0.27 -0.51 -2.50 0.00 0.00 175.30 171.84 2dng s LEU 71 N 1.92 4.53 0.39 -0.88 1.43 -1.26 -0.89 118.68 123.92 2dng s LEU 71 Ca 0.09 -0.40 -0.25 0.00 -1.03 0.00 0.00 54.13 52.55 2dng s LEU 71 Cb -0.17 -2.19 -0.09 0.00 0.03 0.00 0.00 46.19 43.77 2dng s LEU 71 CO 0.12 -0.27 1.11 -0.69 0.23 0.00 0.00 176.35 176.84 2dng s VAL 72 N 1.80 3.44 0.11 -1.59 1.01 -1.24 -5.04 120.40 118.89 2dng s VAL 72 Ca 0.07 1.17 -0.10 0.00 0.00 0.00 0.00 61.98 63.13 2dng s VAL 72 Cb -0.17 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.57 2dng s VAL 72 CO 0.11 0.07 0.24 -0.13 0.00 0.00 0.00 175.10 175.39 2dng s ARG 73 N -2.34 0.95 0.58 2.72 0.52 -1.26 -3.73 118.95 116.38 2dng s ARG 73 Ca 0.57 -0.98 -0.10 0.00 -0.52 0.00 0.00 55.73 54.70 2dng s ARG 73 Cb -0.27 0.37 0.14 0.00 0.52 0.00 0.00 34.95 35.71 2dng s ARG 73 CO 0.33 -0.32 0.67 -0.25 0.02 0.00 0.00 175.30 175.75 2dng n ASP 74 N -0.12 -0.57 -0.02 0.23 8.00 -1.15 -4.91 116.55 118.01 2dng n ASP 74 Ca -0.13 -1.11 -0.03 0.00 0.71 0.00 0.00 54.79 54.23 2dng n ASP 74 Cb 0.63 -0.55 -0.02 0.00 -0.02 0.00 0.00 41.12 41.16 2dng n ASP 74 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 2dng n LYS 75 N -2.82 0.25 0.03 -1.24 4.81 -1.26 -3.96 118.16 113.97 2dng n LYS 75 Ca 0.09 0.02 -0.21 0.00 -0.87 0.00 0.00 58.31 57.34 2dng n LYS 75 Cb 0.31 -1.09 -0.14 0.00 0.02 0.00 0.00 35.03 34.13 2dng n LYS 75 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 2dng h ASP 76 N 0.00 0.43 0.10 3.14 5.19 -2.02 -3.39 116.42 119.87 2dng h ASP 76 Ca -0.10 -0.89 -0.37 0.00 -0.62 0.00 0.00 57.03 55.05 2dng h ASP 76 Cb 1.16 -0.14 -0.05 0.00 0.18 0.00 0.00 39.33 40.48 2dng h ASP 76 CO -0.01 1.54 -2.22 0.35 -3.12 0.00 0.00 179.24 175.78 2dng n THR 77 N -4.00 1.58 -3.11 0.35 -2.24 -1.26 -5.02 114.28 100.59 2dng n THR 77 Ca -0.21 -0.67 -0.14 0.00 -2.27 0.00 0.00 64.05 60.76 2dng n THR 77 Cb 0.88 -1.32 0.06 0.00 -2.10 0.00 0.00 70.33 67.85 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 -3.22 -3.06 -4.87 3.42 8.00 -1.25 -4.96 116.55 110.60 2dng n ASP 78 Ca -0.36 -0.42 -0.22 0.00 0.71 0.00 0.00 54.79 54.50 2dng n ASP 78 Cb 1.04 -3.79 -0.03 0.00 -0.02 0.00 0.00 41.12 38.33 2dng n ASP 78 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2dng s LYS 79 N -5.29 2.44 -0.95 -1.24 -0.14 -1.26 -4.72 119.74 108.59 2dng s LYS 79 Ca 0.14 -1.65 -0.24 0.00 -1.36 0.00 0.00 55.97 52.85 2dng s LYS 79 Cb -0.06 -2.30 0.02 0.00 -1.68 0.00 0.00 37.83 33.81 2dng s LYS 79 CO 0.52 -0.28 1.57 0.12 -0.76 0.00 0.00 175.35 176.52 2dng s PHE 80 N -2.54 2.29 0.26 3.18 5.36 -1.26 -2.92 117.98 122.35 2dng s PHE 80 Ca 0.46 -0.34 0.05 0.00 -0.96 0.00 0.00 56.93 56.14 2dng s PHE 80 Cb -0.02 -4.51 0.73 0.00 -0.34 0.00 0.00 43.02 38.88 2dng s PHE 80 CO 0.27 -1.92 1.25 1.63 -1.46 0.00 0.00 175.22 174.99 2dng n LYS 81 N 8.95 -0.06 0.00 10.12 4.76 -1.24 -4.74 118.16 135.94 2dng n LYS 81 Ca 0.31 1.17 0.00 0.00 -2.87 0.00 0.00 58.31 56.92 2dng n LYS 81 Cb 0.50 -1.92 0.00 0.00 -1.84 0.00 0.00 35.03 31.77 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 -1.35 1.32 3.22 0.72 0.00 -1.26 -5.09 105.19 102.74 2dng n GLY 82 Ca 0.22 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.19 1.61 0.05 1.61 -0.71 -1.26 -3.19 117.98 114.89 2dng s PHE 83 Ca 0.00 -0.37 -0.10 0.00 -1.04 0.00 0.00 56.93 55.41 2dng s PHE 83 Cb 0.00 -0.95 0.01 0.00 -1.21 0.00 0.00 43.02 40.87 2dng s PHE 83 CO 0.00 0.09 0.21 0.00 -1.34 0.00 0.00 175.22 174.18 2dng s TYR 85 N -2.78 3.18 -0.24 0.00 1.51 -0.07 -1.00 117.35 117.94 2dng s TYR 85 Ca -0.03 -0.09 -0.08 0.00 -1.01 0.00 0.00 57.07 55.85 2dng s TYR 85 Cb -0.00 -2.16 -0.04 0.00 -0.11 0.00 0.00 41.96 39.66 2dng s TYR 85 CO -0.05 -0.05 0.09 0.08 -1.11 0.00 0.00 175.55 174.51 2dng s VAL 86 N 0.92 4.60 0.40 0.71 1.01 0.82 -0.42 120.40 128.43 2dng s VAL 86 Ca 0.04 -0.08 -0.02 0.00 0.00 0.00 0.00 61.98 61.92 2dng s VAL 86 Cb -0.14 -3.14 -0.04 0.00 0.00 0.00 0.00 36.38 33.07 2dng s VAL 86 CO 0.03 0.35 0.65 -0.70 0.00 0.00 0.00 175.10 175.43 2dng s GLU 87 N 1.33 3.52 0.03 2.72 2.12 0.13 -0.34 118.70 128.22 2dng s GLU 87 Ca 0.05 -0.09 -0.04 0.00 0.36 0.00 0.00 54.97 55.26 2dng s GLU 87 Cb -0.15 -2.54 -0.02 0.00 0.26 0.00 0.00 34.13 31.68 2dng s GLU 87 CO 0.04 0.01 0.05 -0.06 -0.54 0.00 0.00 175.26 174.76 2dng s PHE 88 N -2.47 0.26 -0.00 5.30 0.40 -0.23 -2.88 117.98 118.35 2dng s PHE 88 Ca 0.43 -0.60 -0.23 0.00 -0.60 0.00 0.00 56.93 55.94 2dng s PHE 88 Cb -0.10 -0.19 -0.19 0.00 0.51 0.00 0.00 43.02 43.05 2dng s PHE 88 CO 0.39 -0.33 1.22 0.22 0.70 0.00 0.00 175.22 177.43 2dng h ASP 89 N 3.81 0.24 -0.68 1.36 1.82 -1.86 -3.36 116.42 117.75 2dng h ASP 89 Ca -0.33 -0.58 -0.65 0.00 -0.39 0.00 0.00 57.03 55.08 2dng h ASP 89 Cb 1.18 -0.07 -0.12 0.00 0.68 0.00 0.00 39.33 41.01 2dng h ASP 89 CO 0.51 0.78 -0.50 -1.61 -1.61 0.00 0.00 179.24 176.80 2dng s GLU 90 N -3.91 2.17 0.06 0.28 0.41 -1.26 -4.85 118.70 111.59 2dng s GLU 90 Ca -0.15 -2.27 -0.10 0.00 -0.41 0.00 0.00 54.97 52.03 2dng s GLU 90 Cb 0.03 -1.65 -0.31 0.00 -1.78 0.00 0.00 34.13 30.43 2dng s GLU 90 CO 0.73 -0.32 1.09 -0.24 -0.49 0.00 0.00 175.26 176.02 2dng h VAL 91 N 1.35 1.38 -0.90 2.63 3.04 -1.96 -3.35 116.25 118.45 2dng h VAL 91 Ca -0.43 -2.83 0.12 0.00 -1.01 0.00 0.00 66.70 62.55 2dng h VAL 91 Cb 1.30 2.94 -0.14 0.00 -2.01 0.00 0.00 31.29 33.38 2dng h VAL 91 CO 0.73 0.84 -0.46 -0.78 -1.01 0.00 0.00 177.57 176.89 2dng h ASP 92 N 0.13 -1.67 -0.40 3.17 3.58 -1.99 0.16 116.42 119.40 2dng h ASP 92 Ca -0.19 0.30 0.08 0.00 0.42 0.00 0.00 57.03 57.64 2dng h ASP 92 Cb 2.03 0.80 -0.09 0.00 1.72 0.00 0.00 39.33 43.79 2dng h ASP 92 CO 0.24 -0.28 -0.33 0.28 -2.88 0.00 0.00 179.24 176.26 2dng h SER 93 N -0.05 -1.11 0.06 2.28 0.02 -1.96 -1.74 113.55 111.04 2dng h SER 93 Ca 0.25 0.19 0.02 0.00 -0.84 0.00 0.00 61.79 61.41 2dng h SER 93 Cb 0.53 0.52 -0.03 0.00 0.14 0.00 0.00 62.40 63.56 2dng h SER 93 CO -0.90 -0.32 -0.18 0.25 -1.14 0.00 0.00 176.83 174.53 2dng h LEU 94 N -0.26 -0.52 -1.25 5.07 5.85 -1.05 -0.86 115.31 122.29 2dng h LEU 94 Ca 0.17 0.07 0.34 0.00 0.84 0.00 0.00 57.88 59.30 2dng h LEU 94 Cb 0.54 0.20 -0.12 0.00 0.37 0.00 0.00 40.66 41.65 2dng h LEU 94 CO -0.54 -0.25 0.70 0.50 -0.34 0.00 0.00 178.44 178.50 2dng h LYS 95 N -0.33 0.26 0.02 1.25 3.64 0.01 0.33 116.57 121.76 2dng h LYS 95 Ca 0.04 -0.02 -0.20 0.00 -1.27 0.00 0.00 60.65 59.20 2dng h LYS 95 Cb 0.37 -0.06 0.02 0.00 -0.41 0.00 0.00 32.23 32.15 2dng h LYS 95 CO -0.13 0.17 -0.80 1.49 -2.27 0.00 0.00 179.45 177.91 2dng h GLU 96 N 0.27 0.51 -0.01 1.90 4.81 -0.50 -3.17 114.58 118.39 2dng h GLU 96 Ca 0.72 -0.58 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 2dng h GLU 96 Cb 1.92 0.17 -0.00 0.00 0.63 0.00 0.00 28.75 31.47 2dng h GLU 96 CO -0.44 1.21 0.04 0.00 -0.73 0.00 0.00 179.01 179.08 2dng h ALA 97 N 0.32 1.16 0.00 2.92 0.00 0.95 0.66 119.26 125.27 2dng h ALA 97 Ca -0.11 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2dng h ALA 97 Cb 1.50 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.29 2dng h ALA 97 CO 0.16 -0.05 0.00 1.28 0.00 0.00 0.00 179.25 180.64 2dng n LEU 98 N -3.23 0.31 0.01 0.00 4.77 -0.38 -1.89 117.00 116.59 2dng n LEU 98 Ca -0.03 0.57 0.12 0.00 -0.03 0.00 0.00 56.01 56.65 2dng n LEU 98 Cb 0.11 -0.53 0.19 0.00 -2.33 0.00 0.00 43.42 40.86 2dng n LEU 98 CO 0.21 -0.38 0.35 0.35 -1.33 0.00 0.00 177.39 176.60 2dng n THR 99 N -1.84 0.05 1.85 -5.08 -2.24 0.22 -3.77 114.28 103.48 2dng n THR 99 Ca 0.03 -0.05 0.13 0.00 -2.27 0.00 0.00 64.05 61.89 2dng n THR 99 Cb 0.21 0.27 0.73 0.00 -2.10 0.00 0.00 70.33 69.44 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 -1.61 0.02 -0.74 4.78 4.02 -0.79 -4.25 117.16 118.59 2dng n TYR 100 Ca 0.05 -0.01 -0.07 0.00 -0.01 0.00 0.00 57.90 57.86 2dng n TYR 100 Cb 0.36 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.57 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 -0.64 4.60 0.00 7.72 5.75 -1.25 -3.32 116.55 129.41 2dng n ASP 101 Ca 0.20 -2.32 0.00 0.00 -0.01 0.00 0.00 54.79 52.66 2dng n ASP 101 Cb 0.16 -1.16 0.00 0.00 -1.03 0.00 0.00 41.12 39.08 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 2.26 0.09 3.24 6.12 0.00 -1.17 -4.81 105.19 110.91 2dng n GLY 102 Ca 0.26 -0.05 -0.33 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.70 -4.37 -3.28 4.61 0.00 -1.21 -4.59 120.51 110.98 2dng n ALA 103 Ca 0.00 -1.30 -0.33 0.00 0.00 0.00 0.00 53.44 51.82 2dng n ALA 103 Cb 0.00 -1.43 -0.16 0.00 0.00 0.00 0.00 19.45 17.87 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 -0.07 2.40 -0.64 0.00 1.43 -1.26 -1.82 118.68 118.72 2dng s LEU 104 Ca 0.53 -0.46 -0.09 0.00 -1.03 0.00 0.00 54.13 53.07 2dng s LEU 104 Cb -0.09 -1.52 0.17 0.00 0.03 0.00 0.00 46.19 44.78 2dng s LEU 104 CO 0.66 0.13 0.52 -0.22 0.23 0.00 0.00 176.35 177.68 2dng s LEU 105 N 0.52 5.96 0.00 1.79 2.96 0.16 -4.95 118.68 125.13 2dng s LEU 105 Ca -0.12 -2.43 0.00 0.00 -0.22 0.00 0.00 54.13 51.36 2dng s LEU 105 Cb -0.16 -2.05 0.00 0.00 0.50 0.00 0.00 46.19 44.48 2dng s LEU 105 CO 0.04 -0.57 0.00 0.61 -1.32 0.00 0.00 176.35 175.11 2dng n GLY 106 N 4.22 2.37 1.53 7.98 0.00 -1.26 -1.87 105.19 118.16 2dng n GLY 106 Ca 0.03 -0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.15 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 10.14 4.52 -3.66 1.61 8.00 -1.26 -4.95 116.55 130.95 2dng n ASP 107 Ca 0.00 -2.29 -0.21 0.00 0.71 0.00 0.00 54.79 53.00 2dng n ASP 107 Cb 0.00 -0.56 -0.08 0.00 -0.02 0.00 0.00 41.12 40.46 2dng n ASP 107 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2dng s ARG 108 N -1.55 1.77 0.55 -1.24 1.70 -0.78 -5.18 118.95 114.22 2dng s ARG 108 Ca 0.51 -2.04 0.06 0.00 -0.47 0.00 0.00 55.73 53.80 2dng s ARG 108 Cb 0.31 0.03 0.06 0.00 -0.57 0.00 0.00 34.95 34.78 2dng s ARG 108 CO 0.28 -0.58 0.52 -1.13 -1.08 0.00 0.00 175.30 173.32 2dng n SER 109 N -1.37 2.55 -4.25 -2.89 3.41 -1.26 0.41 113.62 110.22 2dng n SER 109 Ca 0.03 -2.77 -0.31 0.00 -0.26 0.00 0.00 58.87 55.56 2dng n SER 109 Cb 0.63 -0.15 -0.16 0.00 -0.26 0.00 0.00 64.21 64.27 2dng n SER 109 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2dng s LEU 110 N 0.00 2.04 -0.30 1.04 1.43 -0.76 -4.45 118.68 117.69 2dng s LEU 110 Ca 0.40 -0.49 0.01 0.00 -1.03 0.00 0.00 54.13 53.02 2dng s LEU 110 Cb -0.03 -1.31 0.09 0.00 0.03 0.00 0.00 46.19 44.97 2dng s LEU 110 CO 0.25 0.23 0.05 -0.60 0.23 0.00 0.00 176.35 176.51 2dng s ARG 111 N -0.12 1.14 -0.17 1.70 6.06 -1.18 -3.06 118.95 123.32 2dng s ARG 111 Ca -0.04 -1.29 0.01 0.00 -2.50 0.00 0.00 55.73 51.90 2dng s ARG 111 Cb -0.13 -2.50 0.01 0.00 0.06 0.00 0.00 34.95 32.38 2dng s ARG 111 CO 0.03 -0.88 -0.17 0.08 -2.50 0.00 0.00 175.30 171.86 2dng s VAL 112 N 1.35 2.38 0.28 7.11 1.01 -1.26 -0.83 120.40 130.43 2dng s VAL 112 Ca 0.07 -0.85 0.02 0.00 0.00 0.00 0.00 61.98 61.22 2dng s VAL 112 Cb -0.18 -2.00 -0.06 0.00 0.00 0.00 0.00 36.38 34.14 2dng s VAL 112 CO -0.15 0.52 0.08 -1.81 0.00 0.00 0.00 175.10 173.74 2dng s ASP 113 N 1.08 1.58 -0.24 3.32 1.01 -0.60 -4.52 116.67 118.30 2dng s ASP 113 Ca -0.00 -1.38 -0.22 0.00 0.71 0.00 0.00 52.55 51.66 2dng s ASP 113 Cb -0.14 0.08 -0.01 0.00 1.01 0.00 0.00 42.92 43.85 2dng s ASP 113 CO -0.06 -0.69 0.72 -0.63 0.21 0.00 0.00 175.17 174.72 2dng s ILE 114 N -3.60 4.93 -0.81 0.77 1.01 -1.26 -1.56 121.20 120.67 2dng s ILE 114 Ca 0.37 1.33 -0.23 0.00 0.00 0.00 0.00 60.65 62.11 2dng s ILE 114 Cb 0.08 -4.01 0.06 0.00 0.01 0.00 0.00 42.46 38.60 2dng s ILE 114 CO 0.14 -0.00 1.20 0.00 0.00 0.00 0.00 174.94 176.28 2dng s ALA 115 N 2.56 2.94 -0.72 9.38 0.00 -1.25 -4.88 121.76 129.80 2dng s ALA 115 Ca 0.30 -1.93 0.02 0.00 0.00 0.00 0.00 51.96 50.35 2dng s ALA 115 Cb -0.15 -4.17 0.18 0.00 0.00 0.00 0.00 23.12 18.97 2dng s ALA 115 CO 0.08 -3.17 0.53 -1.21 0.00 0.00 0.00 175.76 172.00 2dng s GLU 116 N 4.60 2.64 0.40 0.00 2.02 -1.26 -4.88 118.70 122.22 2dng s GLU 116 Ca 0.33 -3.12 0.08 0.00 0.02 0.00 0.00 54.97 52.28 2dng s GLU 116 Cb -0.08 -3.60 -0.02 0.00 0.10 0.00 0.00 34.13 30.53 2dng s GLU 116 CO 0.04 -1.24 0.36 0.20 0.02 0.00 0.00 175.26 174.64 2dng s GLY 117 N -0.64 2.07 -0.22 -1.39 0.00 -1.26 -5.12 107.32 100.76 2dng s GLY 117 Ca 0.23 -1.84 -0.04 0.00 0.00 0.00 0.00 44.72 43.07 2dng s GLY 117 CO -0.11 -1.67 0.14 -1.60 0.00 0.00 0.00 173.10 169.85 2dng s ARG 118 N -4.10 0.14 0.10 2.90 3.52 -1.26 -5.13 118.95 115.12 2dng s ARG 118 Ca 0.47 -0.18 -0.29 0.00 -0.13 0.00 0.00 55.73 55.60 2dng s ARG 118 Cb -0.04 -1.44 -0.06 0.00 -1.56 0.00 0.00 34.95 31.86 2dng s ARG 118 CO 0.28 -0.80 0.91 0.15 -0.81 0.00 0.00 175.30 175.02 2dng s LYS 119 N 2.17 4.65 -0.18 5.12 -0.14 -1.26 -5.05 119.74 125.06 2dng s LYS 119 Ca 0.05 1.35 -0.10 0.00 -1.36 0.00 0.00 55.97 55.92 2dng s LYS 119 Cb -0.16 -3.36 -0.05 0.00 -1.68 0.00 0.00 37.83 32.58 2dng s LYS 119 CO -0.20 0.26 0.15 -1.14 -0.76 0.00 0.00 175.35 173.66 2dng s GLN 120 N -0.11 4.03 -0.24 1.68 2.00 -1.26 -5.08 119.66 120.67 2dng s GLN 120 Ca 0.44 -0.17 -0.08 0.00 -2.00 0.00 0.00 55.36 53.55 2dng s GLN 120 Cb -0.23 -3.37 -0.04 0.00 0.80 0.00 0.00 33.01 30.18 2dng s GLN 120 CO 0.28 0.40 0.10 0.34 -0.50 0.00 0.00 175.29 175.92 2dng s ASP 121 N 0.05 5.47 0.22 6.67 -1.08 -1.26 -5.08 116.67 121.65 2dng s ASP 121 Ca 0.10 -0.09 -0.27 0.00 -0.52 0.00 0.00 52.55 51.77 2dng s ASP 121 Cb -0.11 -1.98 -0.09 0.00 -1.46 0.00 0.00 42.92 39.27 2dng s ASP 121 CO -0.00 0.00 0.86 -0.75 0.52 0.00 0.00 175.17 175.80 2dng s LYS 122 N 1.40 4.68 -0.03 4.34 2.47 -1.26 -5.07 119.74 126.27 2dng s LYS 122 Ca 0.06 1.30 0.05 0.00 -1.56 0.00 0.00 55.97 55.82 2dng s LYS 122 Cb -0.15 -3.20 -0.01 0.00 -1.46 0.00 0.00 37.83 33.01 2dng s LYS 122 CO 0.05 0.51 -0.17 -1.12 0.16 0.00 0.00 175.35 174.78 2dng s SER 123 N -1.24 2.08 -0.40 1.43 0.01 -1.26 -5.11 113.70 109.22 2dng s SER 123 Ca 0.40 -0.33 0.02 0.00 1.31 0.00 0.00 55.95 57.34 2dng s SER 123 Cb -0.24 -0.46 0.12 0.00 0.21 0.00 0.00 66.02 65.66 2dng s SER 123 CO 0.28 0.17 0.18 -0.83 0.41 0.00 0.00 173.24 173.45 2dng s GLY 124 N -0.11 1.59 0.55 3.44 0.00 -1.26 -5.12 107.32 106.41 2dng s GLY 124 Ca -0.00 -2.38 -0.18 0.00 0.00 0.00 0.00 44.72 42.16 2dng s GLY 124 CO 0.01 1.45 1.07 2.56 0.00 0.00 0.00 173.10 178.19 2dng s PRO 125 N 0.72 3.48 -0.28 2.90 0.04 -1.26 -5.06 135.00 135.53 2dng s PRO 125 Ca 0.15 1.36 -0.02 0.00 0.04 0.00 0.00 61.00 62.52 2dng s PRO 125 Cb -0.22 -2.05 0.17 0.00 0.04 0.00 0.00 34.50 32.44 2dng s PRO 125 CO -0.08 -0.70 0.55 0.45 0.04 0.00 0.00 177.00 177.26 2dng s SER 126 N -2.26 -0.97 0.12 6.66 0.15 -1.26 -5.16 113.70 110.98 2dng s SER 126 Ca 0.67 0.80 -0.13 0.00 0.70 0.00 0.00 55.95 57.99 2dng s SER 126 Cb -0.18 1.92 0.02 0.00 -1.71 0.00 0.00 66.02 66.07 2dng s SER 126 CO 0.29 -0.26 0.32 -0.94 1.20 0.00 0.00 173.24 173.84 2dng s SER 127 N 2.79 -0.08 0.00 5.45 1.04 -1.26 -5.38 113.70 116.26 2dng s SER 127 Ca 0.16 -0.52 0.00 0.00 0.48 0.00 0.00 55.95 56.07 2dng s SER 127 Cb -0.15 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.40 2dng s SER 127 CO -0.19 -0.83 0.45 0.61 0.98 0.00 0.00 173.24 174.25