#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 1.74 0.29 1.61 1.04 -1.26 -5.12 113.70 111.99 2dng s SER 27 Ca 0.00 -0.29 -0.29 0.00 0.48 0.00 0.00 55.95 55.85 2dng s SER 27 Cb 0.00 -0.78 -0.10 0.00 0.10 0.00 0.00 66.02 65.24 2dng s SER 27 CO 0.00 0.04 1.29 -0.55 0.98 0.00 0.00 173.24 175.00 2dng s SER 28 N 0.62 6.86 0.00 7.02 0.15 -1.26 -4.78 113.70 122.31 2dng s SER 28 Ca -0.14 2.56 0.00 0.00 0.70 0.00 0.00 55.95 59.08 2dng s SER 28 Cb -0.15 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.52 2dng s SER 28 CO 0.03 -0.49 0.00 0.61 1.20 0.00 0.00 173.24 174.59 2dng n GLY 29 N 1.36 0.46 3.52 9.45 0.00 -1.26 -5.01 105.19 113.70 2dng n GLY 29 Ca 0.02 -1.30 -0.42 0.00 0.00 0.00 0.00 46.02 44.32 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 6.23 0.46 1.61 0.01 -1.26 -4.86 113.70 111.88 2dng s SER 30 Ca 0.00 -0.81 0.38 0.00 1.31 0.00 0.00 55.95 56.83 2dng s SER 30 Cb 0.00 -2.51 1.50 0.00 0.21 0.00 0.00 66.02 65.22 2dng s SER 30 CO 0.00 -1.64 1.46 -1.54 0.41 0.00 0.00 173.24 171.93 2dng n SER 31 N 8.66 0.11 -2.66 2.44 3.41 -1.26 -3.81 113.62 120.52 2dng n SER 31 Ca 0.05 1.13 -0.03 0.00 -0.26 0.00 0.00 58.87 59.76 2dng n SER 31 Cb 0.48 -0.56 0.05 0.00 -0.26 0.00 0.00 64.21 63.92 2dng n SER 31 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dng n GLY 32 N -1.65 -1.88 3.24 5.00 0.00 -1.26 -5.14 105.19 103.49 2dng n GLY 32 Ca 0.40 1.34 -0.34 0.00 0.00 0.00 0.00 46.02 47.42 2dng n GLY 32 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2dng n LYS 33 N 2.29 -0.88 -2.87 1.61 2.85 -1.25 -4.91 118.16 115.00 2dng n LYS 33 Ca 0.08 -0.24 -0.41 0.00 -1.05 0.00 0.00 58.31 56.70 2dng n LYS 33 Cb 0.67 -1.56 -0.04 0.00 -0.65 0.00 0.00 35.03 33.45 2dng n LYS 33 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 177.40 175.52 2dng s GLU 34 N -3.12 4.55 0.20 -1.58 -1.05 -1.26 -5.06 118.70 111.37 2dng s GLU 34 Ca 0.51 1.21 0.11 0.00 -0.15 0.00 0.00 54.97 56.65 2dng s GLU 34 Cb -0.11 -3.40 -0.04 0.00 -0.44 0.00 0.00 34.13 30.14 2dng s GLU 34 CO 0.68 0.16 -0.23 -0.51 0.95 0.00 0.00 175.26 176.31 2dng s LEU 35 N 0.34 2.45 0.03 1.83 1.43 -1.26 -5.02 118.68 118.47 2dng s LEU 35 Ca 0.43 -0.88 -0.30 0.00 -1.03 0.00 0.00 54.13 52.35 2dng s LEU 35 Cb -0.21 -1.11 -0.06 0.00 0.03 0.00 0.00 46.19 44.84 2dng s LEU 35 CO 0.25 0.09 1.41 -2.16 0.23 0.00 0.00 176.35 176.17 2dng s PRO 36 N -2.75 4.29 0.13 1.29 0.04 -1.26 -4.93 135.00 131.80 2dng s PRO 36 Ca 0.21 2.01 -0.12 0.00 0.04 0.00 0.00 61.00 63.13 2dng s PRO 36 Cb -0.07 -3.51 -0.06 0.00 0.04 0.00 0.00 34.50 30.90 2dng s PRO 36 CO 0.10 -0.55 1.45 1.79 0.04 0.00 0.00 177.00 179.83 2dng h THR 37 N 4.78 1.28 -4.18 1.26 1.35 -1.99 -3.46 112.91 111.94 2dng h THR 37 Ca -0.39 -1.53 -0.12 0.00 -0.55 0.00 0.00 66.41 63.82 2dng h THR 37 Cb 1.19 1.46 -0.15 0.00 -1.73 0.00 0.00 68.15 68.92 2dng h THR 37 CO 0.89 0.50 -0.61 -1.61 -0.25 0.00 0.00 175.52 174.45 2dng s GLU 38 N -4.37 0.72 1.05 4.72 8.01 -1.26 -5.13 118.70 122.44 2dng s GLU 38 Ca -0.12 -1.21 -0.13 0.00 0.01 0.00 0.00 54.97 53.53 2dng s GLU 38 Cb 0.10 0.24 0.22 0.00 -4.31 0.00 0.00 34.13 30.38 2dng s GLU 38 CO 0.86 -0.17 1.08 -1.25 0.01 0.00 0.00 175.26 175.79 2dng s PRO 39 N -3.93 0.04 1.14 0.39 0.04 -1.26 -4.74 135.00 126.67 2dng s PRO 39 Ca 0.10 0.58 -0.17 0.00 0.04 0.00 0.00 61.00 61.55 2dng s PRO 39 Cb 0.07 -1.69 0.26 0.00 0.04 0.00 0.00 34.50 33.18 2dng s PRO 39 CO -0.08 -3.01 1.10 -1.25 0.04 0.00 0.00 177.00 173.80 2dng s PRO 40 N -4.84 -0.69 -0.43 0.56 0.04 -1.26 -5.13 135.00 123.25 2dng s PRO 40 Ca 0.66 0.13 0.03 0.00 0.04 0.00 0.00 61.00 61.86 2dng s PRO 40 Cb -0.20 -1.64 0.12 0.00 0.04 0.00 0.00 34.50 32.82 2dng s PRO 40 CO 0.59 -3.40 0.18 0.71 0.04 0.00 0.00 177.00 175.12 2dng s TYR 41 N -2.99 3.09 -0.16 0.56 2.02 -1.26 -5.05 117.35 113.56 2dng s TYR 41 Ca 0.69 -2.91 -0.15 0.00 -0.37 0.00 0.00 57.07 54.33 2dng s TYR 41 Cb -0.13 -2.64 -0.04 0.00 -0.40 0.00 0.00 41.96 38.74 2dng s TYR 41 CO 0.57 -0.82 0.33 0.99 -1.57 0.00 0.00 175.55 175.04 2dng s THR 42 N 0.33 5.27 0.06 -0.71 2.01 -1.26 -1.71 115.64 119.64 2dng s THR 42 Ca 0.15 0.63 0.09 0.00 0.31 0.00 0.00 61.69 62.86 2dng s THR 42 Cb -0.23 -3.67 -0.03 0.00 0.01 0.00 0.00 72.50 68.58 2dng s THR 42 CO -0.04 0.36 -0.26 0.00 -0.69 0.00 0.00 174.62 173.98 2dng s ALA 43 N 0.64 2.22 -0.17 7.40 0.00 -0.49 -2.60 121.76 128.75 2dng s ALA 43 Ca 0.18 -1.29 -0.07 0.00 0.00 0.00 0.00 51.96 50.79 2dng s ALA 43 Cb -0.14 -0.44 -0.04 0.00 0.00 0.00 0.00 23.12 22.51 2dng s ALA 43 CO 0.05 0.52 0.06 -0.47 0.00 0.00 0.00 175.76 175.92 2dng s TYR 44 N -0.86 3.25 -0.09 0.00 6.14 0.12 -0.61 117.35 125.29 2dng s TYR 44 Ca 0.12 0.07 0.00 0.00 0.64 0.00 0.00 57.07 57.90 2dng s TYR 44 Cb -0.10 -2.05 0.02 0.00 0.42 0.00 0.00 41.96 40.25 2dng s TYR 44 CO 0.03 0.18 -0.07 0.08 0.64 0.00 0.00 175.55 176.41 2dng s VAL 45 N 0.24 0.89 0.22 3.14 1.01 -0.70 -0.33 120.40 124.88 2dng s VAL 45 Ca 0.04 -0.24 0.01 0.00 0.00 0.00 0.00 61.98 61.78 2dng s VAL 45 Cb -0.12 -0.91 -0.00 0.00 0.00 0.00 0.00 36.38 35.34 2dng s VAL 45 CO 0.00 0.33 0.03 0.61 0.00 0.00 0.00 175.10 176.08 2dng n GLY 46 N 4.66 3.81 2.36 4.51 0.00 0.42 -1.85 105.19 119.11 2dng n GLY 46 Ca -0.15 -2.18 -0.10 0.00 0.00 0.00 0.00 46.02 43.59 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 -1.41 -3.61 -4.86 1.61 5.15 -1.26 -3.15 115.26 107.74 2dng n ASN 47 Ca -0.07 -0.24 -0.30 0.00 -0.60 0.00 0.00 54.58 53.37 2dng n ASN 47 Cb 0.30 -2.51 -0.05 0.00 -0.53 0.00 0.00 39.78 37.00 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 -3.81 4.11 0.47 1.20 1.43 -1.23 -4.62 118.68 116.24 2dng s LEU 48 Ca 0.21 0.13 -0.21 0.00 -1.03 0.00 0.00 54.13 53.23 2dng s LEU 48 Cb -0.09 -2.74 -0.11 0.00 0.03 0.00 0.00 46.19 43.27 2dng s LEU 48 CO 0.32 0.15 0.56 -2.65 0.23 0.00 0.00 176.35 174.97 2dng n PRO 49 N 0.20 0.61 -0.31 1.29 -0.02 -1.26 -4.82 135.00 130.70 2dng n PRO 49 Ca -0.07 0.23 0.13 0.00 -2.02 0.00 0.00 63.50 61.77 2dng n PRO 49 Cb 0.52 -1.60 0.28 0.00 -0.02 0.00 0.00 33.50 32.68 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 0.68 0.19 -3.17 6.00 3.57 -1.96 -2.72 116.94 119.53 2dng h PHE 50 Ca -0.42 0.06 -0.71 0.00 3.53 0.00 0.00 57.97 60.42 2dng h PHE 50 Cb 1.39 0.06 -0.35 0.00 2.79 0.00 0.00 35.95 39.85 2dng h PHE 50 CO 0.35 -0.29 0.01 0.09 -2.23 0.00 0.00 178.31 176.24 2dng n ASN 51 N -5.32 4.54 -4.64 0.41 3.02 -1.26 -4.71 115.26 107.30 2dng n ASN 51 Ca 0.21 -3.19 -0.36 0.00 -0.03 0.00 0.00 54.58 51.21 2dng n ASN 51 Cb 0.70 -1.07 -0.10 0.00 -0.61 0.00 0.00 39.78 38.71 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 -1.66 5.18 0.18 3.41 2.01 -1.03 -5.09 115.64 118.63 2dng s THR 52 Ca 0.30 0.12 0.07 0.00 0.31 0.00 0.00 61.69 62.48 2dng s THR 52 Cb -0.04 -3.40 -0.04 0.00 0.01 0.00 0.00 72.50 69.03 2dng s THR 52 CO -0.08 0.37 0.03 0.68 -0.69 0.00 0.00 174.62 174.92 2dng s VAL 53 N 0.94 3.87 0.34 3.82 -7.23 -1.26 -5.00 120.40 115.87 2dng s VAL 53 Ca 0.07 -1.37 0.13 0.00 -1.81 0.00 0.00 61.98 59.00 2dng s VAL 53 Cb -0.13 -2.96 0.37 0.00 0.56 0.00 0.00 36.38 34.22 2dng s VAL 53 CO 0.03 -0.12 1.59 -0.61 -0.31 0.00 0.00 175.10 175.68 2dng h GLN 54 N 2.61 0.05 -0.54 4.82 4.15 -1.98 0.35 115.11 124.57 2dng h GLN 54 Ca -0.47 -0.00 0.11 0.00 0.77 0.00 0.00 58.65 59.06 2dng h GLN 54 Cb 1.20 -0.01 -0.10 0.00 0.21 0.00 0.00 27.48 28.79 2dng h GLN 54 CO 0.59 0.03 -0.05 0.78 -1.93 0.00 0.00 178.83 178.25 2dng h GLY 55 N 0.05 0.50 -0.05 2.39 0.00 -1.99 -1.33 103.07 102.63 2dng h GLY 55 Ca 0.74 0.11 0.02 0.00 0.00 0.00 0.00 47.33 48.20 2dng h GLY 55 CO -0.80 -0.18 -0.40 -0.55 0.00 0.00 0.00 176.54 174.62 2dng h ASP 56 N 0.07 -1.25 -0.42 0.19 3.32 -0.68 -0.93 116.42 116.72 2dng h ASP 56 Ca 0.27 0.14 0.09 0.00 0.02 0.00 0.00 57.03 57.55 2dng h ASP 56 Cb 0.42 0.48 -0.09 0.00 0.22 0.00 0.00 39.33 40.37 2dng h ASP 56 CO -0.50 -0.37 -0.18 0.40 -1.72 0.00 0.00 179.24 176.88 2dng h ILE 57 N -0.46 0.45 -1.01 0.35 1.08 -1.50 0.51 117.51 116.94 2dng h ILE 57 Ca 0.02 0.00 0.24 0.00 -0.39 0.00 0.00 64.86 64.73 2dng h ILE 57 Cb 0.51 0.45 -0.12 0.00 -3.07 0.00 0.00 36.82 34.60 2dng h ILE 57 CO -0.30 0.00 0.61 -0.78 -0.69 0.00 0.00 178.15 177.00 2dng h ASP 58 N -0.09 0.65 -0.27 1.72 1.82 -0.69 0.10 116.42 119.66 2dng h ASP 58 Ca 0.20 0.12 -0.14 0.00 -0.39 0.00 0.00 57.03 56.82 2dng h ASP 58 Cb 0.40 0.01 -0.00 0.00 0.68 0.00 0.00 39.33 40.43 2dng h ASP 58 CO -0.48 0.13 -0.37 0.00 -1.61 0.00 0.00 179.24 176.91 2dng h ALA 59 N 1.70 0.41 0.67 -0.78 0.00 0.43 0.16 119.26 121.85 2dng h ALA 59 Ca 0.62 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 2dng h ALA 59 Cb 1.22 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 2dng h ALA 59 CO -0.42 0.49 -0.40 0.82 0.00 0.00 0.00 179.25 179.74 2dng h ILE 60 N 0.46 0.19 -0.76 0.00 2.04 0.35 -2.80 117.51 116.99 2dng h ILE 60 Ca 0.03 0.00 -0.35 0.00 1.00 0.00 0.00 64.86 65.54 2dng h ILE 60 Cb 0.96 0.19 -0.21 0.00 -0.74 0.00 0.00 36.82 37.02 2dng h ILE 60 CO 0.09 0.00 0.44 0.49 0.00 0.00 0.00 178.15 179.17 2dng n PHE 61 N -5.54 2.41 0.01 1.37 3.72 -0.43 -4.50 117.46 114.51 2dng n PHE 61 Ca -0.13 -1.42 0.11 0.00 -0.05 0.00 0.00 57.45 55.96 2dng n PHE 61 Cb 0.43 -0.76 0.55 0.00 -0.94 0.00 0.00 39.48 38.75 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 1.36 0.28 -0.41 -1.08 5.09 -0.38 -0.75 116.57 120.68 2dng h LYS 62 Ca 0.43 -0.02 -0.07 0.00 0.09 0.00 0.00 60.65 61.08 2dng h LYS 62 Cb 2.41 -0.06 -0.02 0.00 0.10 0.00 0.00 32.23 34.65 2dng h LYS 62 CO 0.82 0.19 -0.03 0.22 -2.09 0.00 0.00 179.45 178.56 2dng h ASP 63 N 0.29 0.65 -3.34 7.07 1.82 -1.82 -3.44 116.42 117.65 2dng h ASP 63 Ca 0.20 -0.15 -0.45 0.00 -0.39 0.00 0.00 57.03 56.24 2dng h ASP 63 Cb 0.41 -0.17 0.15 0.00 0.68 0.00 0.00 39.33 40.40 2dng h ASP 63 CO -0.04 0.73 0.34 -0.76 -1.61 0.00 0.00 179.24 177.90 2dng s LEU 64 N -9.08 2.81 -0.88 2.28 1.43 -0.29 -5.01 118.68 109.94 2dng s LEU 64 Ca -0.09 -0.02 -0.14 0.00 -1.03 0.00 0.00 54.13 52.86 2dng s LEU 64 Cb 0.15 -2.03 0.22 0.00 0.03 0.00 0.00 46.19 44.56 2dng s LEU 64 CO 0.79 -2.61 0.85 -0.44 0.23 0.00 0.00 176.35 175.18 2dng s SER 65 N -4.90 6.84 -0.05 2.29 0.01 -1.26 -5.02 113.70 111.61 2dng s SER 65 Ca 0.74 -2.79 -0.30 0.00 1.31 0.00 0.00 55.95 54.91 2dng s SER 65 Cb -0.03 -2.22 -0.03 0.00 0.21 0.00 0.00 66.02 63.95 2dng s SER 65 CO 0.51 -0.56 1.09 -0.63 0.41 0.00 0.00 173.24 174.06 2dng s ILE 66 N 0.13 4.52 -0.21 1.44 1.01 -1.26 -3.21 121.20 123.62 2dng s ILE 66 Ca 0.21 1.81 -0.20 0.00 0.00 0.00 0.00 60.65 62.47 2dng s ILE 66 Cb -0.10 -4.17 -0.19 0.00 0.01 0.00 0.00 42.46 38.02 2dng s ILE 66 CO -0.09 0.04 0.17 -1.14 0.00 0.00 0.00 174.94 173.92 2dng n ARG 67 N 4.78 0.58 -3.54 2.79 0.63 -0.43 -4.97 116.66 116.50 2dng n ARG 67 Ca 0.09 0.54 -0.16 0.00 -0.92 0.00 0.00 57.85 57.40 2dng n ARG 67 Cb 0.48 -1.72 -0.06 0.00 0.45 0.00 0.00 32.46 31.61 2dng n ARG 67 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 2dng s SER 68 N -6.92 -0.59 -0.30 6.15 0.01 -1.23 -5.01 113.70 105.80 2dng s SER 68 Ca -0.30 0.67 0.03 0.00 1.31 0.00 0.00 55.95 57.66 2dng s SER 68 Cb 0.07 0.51 0.08 0.00 0.21 0.00 0.00 66.02 66.89 2dng s SER 68 CO 0.59 -0.53 -0.02 -0.69 0.41 0.00 0.00 173.24 173.01 2dng s VAL 69 N -1.10 2.16 -0.33 3.43 1.01 -1.26 -0.74 120.40 123.57 2dng s VAL 69 Ca -0.08 -1.99 -0.24 0.00 0.00 0.00 0.00 61.98 59.67 2dng s VAL 69 Cb -0.00 -2.45 0.01 0.00 0.00 0.00 0.00 36.38 33.93 2dng s VAL 69 CO 0.07 -0.35 0.83 -0.60 0.00 0.00 0.00 175.10 175.05 2dng s ARG 70 N 1.02 3.92 -0.29 2.72 6.06 0.29 -4.94 118.95 127.73 2dng s ARG 70 Ca 0.02 0.58 -0.10 0.00 -2.50 0.00 0.00 55.73 53.73 2dng s ARG 70 Cb -0.19 -3.75 -0.04 0.00 0.06 0.00 0.00 34.95 31.03 2dng s ARG 70 CO -0.07 -0.76 0.17 -0.51 -2.50 0.00 0.00 175.30 171.63 2dng s LEU 71 N 3.10 4.00 -0.10 -0.88 1.43 -1.26 -0.79 118.68 124.18 2dng s LEU 71 Ca 0.34 -0.17 -0.28 0.00 -1.03 0.00 0.00 54.13 52.99 2dng s LEU 71 Cb -0.14 -2.07 -0.02 0.00 0.03 0.00 0.00 46.19 44.00 2dng s LEU 71 CO 0.14 -0.09 0.92 -0.69 0.23 0.00 0.00 176.35 176.86 2dng s VAL 72 N 1.71 4.85 0.01 -1.59 1.01 -1.25 -5.03 120.40 120.11 2dng s VAL 72 Ca 0.06 1.87 0.03 0.00 0.00 0.00 0.00 61.98 63.95 2dng s VAL 72 Cb -0.16 -4.24 -0.01 0.00 0.00 0.00 0.00 36.38 31.97 2dng s VAL 72 CO 0.09 0.06 -0.09 0.00 0.00 0.00 0.00 175.10 175.16 2dng s ARG 73 N 1.75 0.70 1.16 2.72 1.70 -1.26 -2.05 118.95 123.67 2dng s ARG 73 Ca 0.45 -0.46 -0.17 0.00 -0.47 0.00 0.00 55.73 55.08 2dng s ARG 73 Cb -0.18 -0.65 0.23 0.00 -0.57 0.00 0.00 34.95 33.77 2dng s ARG 73 CO 0.18 0.17 0.47 -3.47 -1.08 0.00 0.00 175.30 171.57 2dng n ASP 74 N 2.47 -3.17 -0.02 -2.89 2.03 -1.21 -4.86 116.55 108.90 2dng n ASP 74 Ca -0.16 -0.47 0.02 0.00 0.52 0.00 0.00 54.79 54.70 2dng n ASP 74 Cb 0.56 -0.88 -0.08 0.00 -0.72 0.00 0.00 41.12 40.00 2dng n ASP 74 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 2dng n LYS 75 N -3.09 1.01 -0.09 -0.67 2.85 -1.26 -3.62 118.16 113.29 2dng n LYS 75 Ca 0.07 -0.07 -0.22 0.00 -1.05 0.00 0.00 58.31 57.04 2dng n LYS 75 Cb 0.47 -1.25 -0.12 0.00 -0.65 0.00 0.00 35.03 33.48 2dng n LYS 75 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2dng n ASP 76 N -2.03 1.91 -0.02 -5.58 8.00 -1.26 -4.54 116.55 113.03 2dng n ASP 76 Ca -0.07 0.38 -0.13 0.00 0.71 0.00 0.00 54.79 55.68 2dng n ASP 76 Cb 0.45 -0.93 -0.14 0.00 -0.02 0.00 0.00 41.12 40.48 2dng n ASP 76 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 2dng n THR 77 N -4.27 1.65 -3.28 -3.53 -2.24 -1.26 -5.00 114.28 96.34 2dng n THR 77 Ca -0.34 -0.75 -0.17 0.00 -2.27 0.00 0.00 64.05 60.52 2dng n THR 77 Cb 0.76 -1.24 0.07 0.00 -2.10 0.00 0.00 70.33 67.82 2dng n THR 77 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2dng n ASP 78 N -3.17 -3.75 -4.38 3.42 2.03 -1.24 -4.99 116.55 104.47 2dng n ASP 78 Ca -0.24 -0.48 -0.29 0.00 0.52 0.00 0.00 54.79 54.30 2dng n ASP 78 Cb 1.06 -4.26 -0.13 0.00 -0.72 0.00 0.00 41.12 37.06 2dng n ASP 78 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 2dng s LYS 79 N -5.58 1.47 -0.58 -0.67 -2.85 -1.26 -4.83 119.74 105.44 2dng s LYS 79 Ca 0.23 -1.30 -0.33 0.00 -1.00 0.00 0.00 55.97 53.58 2dng s LYS 79 Cb -0.10 -1.91 -0.14 0.00 -2.06 0.00 0.00 37.83 33.62 2dng s LYS 79 CO 0.60 0.46 2.39 0.34 0.10 0.00 0.00 175.35 179.24 2dng n PHE 80 N 1.08 1.22 -0.26 1.78 7.35 -1.26 -3.35 117.46 124.02 2dng n PHE 80 Ca -0.18 0.31 0.07 0.00 -0.76 0.00 0.00 57.45 56.89 2dng n PHE 80 Cb 0.53 -2.49 0.18 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 13.70 0.14 0.00 -4.13 1.79 -1.78 -3.46 116.57 122.83 2dng h LYS 81 Ca -0.18 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.28 2dng h LYS 81 Cb 1.31 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.93 2dng h LYS 81 CO 1.17 0.09 0.00 0.41 -1.08 0.00 0.00 179.45 180.04 2dng n GLY 82 N -1.40 1.16 3.73 3.86 0.00 -1.26 -5.10 105.19 106.17 2dng n GLY 82 Ca 0.15 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.90 2dng n GLY 82 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2dng s PHE 83 N 0.00 2.33 -0.02 1.61 -0.12 -1.26 -3.51 117.98 117.00 2dng s PHE 83 Ca 0.00 -0.71 -0.29 0.00 -0.05 0.00 0.00 56.93 55.88 2dng s PHE 83 Cb 0.00 -1.84 0.08 0.00 -0.63 0.00 0.00 43.02 40.63 2dng s PHE 83 CO 0.00 0.18 0.72 0.00 -0.05 0.00 0.00 175.22 176.07 2dng s TYR 85 N -1.78 3.20 -0.23 0.00 2.02 0.03 -1.72 117.35 118.86 2dng s TYR 85 Ca -0.07 -0.03 -0.08 0.00 -0.37 0.00 0.00 57.07 56.52 2dng s TYR 85 Cb -0.00 -2.26 -0.03 0.00 -0.40 0.00 0.00 41.96 39.27 2dng s TYR 85 CO 0.03 -0.12 0.08 0.08 -1.57 0.00 0.00 175.55 174.05 2dng s VAL 86 N 1.32 4.52 -0.00 0.71 1.01 0.22 -0.55 120.40 127.62 2dng s VAL 86 Ca 0.06 -0.11 -0.16 0.00 0.00 0.00 0.00 61.98 61.77 2dng s VAL 86 Cb -0.15 -3.10 -0.06 0.00 0.00 0.00 0.00 36.38 33.08 2dng s VAL 86 CO 0.05 0.36 0.44 -0.70 0.00 0.00 0.00 175.10 175.26 2dng s GLU 87 N 1.31 4.02 0.33 2.72 2.12 0.09 -1.39 118.70 127.88 2dng s GLU 87 Ca 0.05 0.47 0.09 0.00 0.36 0.00 0.00 54.97 55.95 2dng s GLU 87 Cb -0.15 -3.25 -0.05 0.00 0.26 0.00 0.00 34.13 30.94 2dng s GLU 87 CO 0.04 0.62 -0.02 -0.06 -0.54 0.00 0.00 175.26 175.30 2dng s PHE 88 N -0.88 2.53 -0.05 5.30 0.08 -0.69 -1.31 117.98 122.96 2dng s PHE 88 Ca 0.25 -0.40 -0.01 0.00 0.12 0.00 0.00 56.93 56.88 2dng s PHE 88 Cb -0.17 -1.40 -0.00 0.00 -0.57 0.00 0.00 43.02 40.88 2dng s PHE 88 CO 0.14 0.52 -0.02 -0.44 -0.10 0.00 0.00 175.22 175.32 2dng h ASP 89 N 1.87 0.00 -1.03 1.36 3.32 -1.87 -3.37 116.42 116.71 2dng h ASP 89 Ca -0.43 0.00 -0.47 0.00 0.02 0.00 0.00 57.03 56.15 2dng h ASP 89 Cb 1.25 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.82 2dng h ASP 89 CO 0.65 0.24 -0.18 -1.61 -1.72 0.00 0.00 179.24 176.63 2dng s GLU 90 N -1.32 2.49 0.18 3.56 2.02 -1.26 -4.77 118.70 119.60 2dng s GLU 90 Ca -0.02 -1.53 0.02 0.00 0.02 0.00 0.00 54.97 53.46 2dng s GLU 90 Cb 0.00 -2.63 0.06 0.00 0.10 0.00 0.00 34.13 31.67 2dng s GLU 90 CO 0.03 -0.61 1.43 -0.24 0.02 0.00 0.00 175.26 175.88 2dng h VAL 91 N 0.42 1.45 -0.52 2.63 3.04 -1.97 -3.25 116.25 118.05 2dng h VAL 91 Ca -0.34 -2.40 0.08 0.00 -1.01 0.00 0.00 66.70 63.03 2dng h VAL 91 Cb 1.29 2.31 -0.06 0.00 -2.01 0.00 0.00 31.29 32.81 2dng h VAL 91 CO 0.44 0.70 0.16 -2.24 -1.01 0.00 0.00 177.57 175.63 2dng h ASP 92 N 0.15 0.13 0.31 3.17 2.03 -1.99 -1.47 116.42 118.74 2dng h ASP 92 Ca -0.03 0.07 0.00 0.00 -0.73 0.00 0.00 57.03 56.34 2dng h ASP 92 Cb 1.39 0.07 -0.02 0.00 -0.83 0.00 0.00 39.33 39.93 2dng h ASP 92 CO 0.12 0.10 -0.34 0.28 -1.03 0.00 0.00 179.24 178.37 2dng h SER 93 N 0.33 -0.92 0.12 4.15 0.02 -1.97 -0.43 113.55 114.84 2dng h SER 93 Ca 0.26 0.08 0.01 0.00 -0.84 0.00 0.00 61.79 61.30 2dng h SER 93 Cb 0.31 0.32 -0.04 0.00 0.14 0.00 0.00 62.40 63.12 2dng h SER 93 CO -0.28 -0.47 -0.47 0.25 -1.14 0.00 0.00 176.83 174.72 2dng h LEU 94 N -0.68 -1.41 -0.55 5.07 5.85 -1.55 -1.53 115.31 120.51 2dng h LEU 94 Ca -0.01 0.15 0.11 0.00 0.84 0.00 0.00 57.88 58.96 2dng h LEU 94 Cb 0.63 0.52 -0.11 0.00 0.37 0.00 0.00 40.66 42.07 2dng h LEU 94 CO -0.08 -0.50 -0.27 0.50 -0.34 0.00 0.00 178.44 177.74 2dng h LYS 95 N -0.68 -0.13 -0.92 1.25 3.64 -1.20 0.44 116.57 118.97 2dng h LYS 95 Ca -0.01 0.01 0.22 0.00 -1.27 0.00 0.00 60.65 59.60 2dng h LYS 95 Cb 0.68 0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 32.46 2dng h LYS 95 CO -0.25 -0.09 0.62 1.49 -2.27 0.00 0.00 179.45 178.95 2dng h GLU 96 N -0.13 0.32 0.00 1.90 4.57 -0.61 0.57 114.58 121.20 2dng h GLU 96 Ca 0.24 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.38 2dng h GLU 96 Cb 0.52 -0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 29.03 2dng h GLU 96 CO -0.63 0.21 -0.23 0.00 -1.18 0.00 0.00 179.01 177.18 2dng h ALA 97 N 1.60 0.88 0.00 2.92 0.00 0.78 -3.18 119.26 122.26 2dng h ALA 97 Ca 0.48 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.28 2dng h ALA 97 Cb 1.31 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2dng h ALA 97 CO -0.16 0.14 0.00 1.28 0.00 0.00 0.00 179.25 180.51 2dng n LEU 98 N -3.08 0.42 0.06 0.00 4.77 0.20 -2.51 117.00 116.87 2dng n LEU 98 Ca 0.03 0.59 -0.01 0.00 -0.03 0.00 0.00 56.01 56.59 2dng n LEU 98 Cb 0.58 -0.51 -0.06 0.00 -2.33 0.00 0.00 43.42 41.10 2dng n LEU 98 CO 0.36 -0.35 -0.07 0.71 -1.33 0.00 0.00 177.39 176.71 2dng h THR 99 N 0.00 0.73 0.00 -5.08 1.35 -1.48 -3.29 112.91 105.14 2dng h THR 99 Ca 0.00 -2.24 0.00 0.00 -0.55 0.00 0.00 66.41 63.62 2dng h THR 99 Cb 0.40 2.24 0.00 0.00 -1.73 0.00 0.00 68.15 69.06 2dng h THR 99 CO 0.00 0.42 0.01 1.88 -0.25 0.00 0.00 175.52 177.58 2dng h TYR 100 N 0.00 0.00 -1.81 4.73 -1.99 -1.63 -3.41 116.97 112.86 2dng h TYR 100 Ca -0.12 0.00 -0.49 0.00 2.00 0.00 0.00 58.73 60.13 2dng h TYR 100 Cb 1.59 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 40.31 2dng h TYR 100 CO 0.00 0.00 1.52 0.34 -0.00 0.00 0.00 178.16 180.02 2dng s ASP 101 N -4.54 4.83 0.00 3.88 2.15 -1.24 -1.81 116.67 119.94 2dng s ASP 101 Ca -0.04 0.91 0.00 0.00 0.43 0.00 0.00 52.55 53.85 2dng s ASP 101 Cb 0.09 -2.51 0.00 0.00 -0.30 0.00 0.00 42.92 40.20 2dng s ASP 101 CO 0.29 -2.61 0.00 0.61 -0.17 0.00 0.00 175.17 173.29 2dng n GLY 102 N 5.87 1.15 3.95 2.66 0.00 -1.26 -5.00 105.19 112.55 2dng n GLY 102 Ca 0.30 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.43 3.26 -0.13 4.61 0.00 -0.75 -4.95 121.76 123.37 2dng s ALA 103 Ca 0.00 -1.20 -0.01 0.00 0.00 0.00 0.00 51.96 50.75 2dng s ALA 103 Cb 0.00 -2.42 -0.02 0.00 0.00 0.00 0.00 23.12 20.68 2dng s ALA 103 CO 0.00 -1.41 -0.09 -0.51 0.00 0.00 0.00 175.76 173.76 2dng s LEU 104 N -5.24 2.98 -0.80 0.00 1.43 -1.26 -2.40 118.68 113.39 2dng s LEU 104 Ca 0.63 -0.21 -0.13 0.00 -1.03 0.00 0.00 54.13 53.38 2dng s LEU 104 Cb -0.09 -1.69 0.21 0.00 0.03 0.00 0.00 46.19 44.66 2dng s LEU 104 CO 0.45 0.19 0.73 -0.22 0.23 0.00 0.00 176.35 177.73 2dng s LEU 105 N 0.21 6.64 0.00 1.79 2.96 0.11 -4.91 118.68 125.48 2dng s LEU 105 Ca -0.05 -2.65 0.00 0.00 -0.22 0.00 0.00 54.13 51.21 2dng s LEU 105 Cb -0.15 -2.19 0.00 0.00 0.50 0.00 0.00 46.19 44.36 2dng s LEU 105 CO 0.04 -0.58 0.00 0.61 -1.32 0.00 0.00 176.35 175.10 2dng n GLY 106 N 4.01 2.19 1.49 7.98 0.00 -1.26 -1.87 105.19 117.73 2dng n GLY 106 Ca 0.12 0.01 0.11 0.00 0.00 0.00 0.00 46.02 46.26 2dng n GLY 106 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2dng n ASP 107 N 10.31 4.38 -3.47 1.61 2.03 -1.26 -4.96 116.55 125.19 2dng n ASP 107 Ca 0.00 -2.20 -0.22 0.00 0.52 0.00 0.00 54.79 52.89 2dng n ASP 107 Cb 0.00 -0.54 -0.07 0.00 -0.72 0.00 0.00 41.12 39.79 2dng n ASP 107 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2dng n ARG 108 N 1.46 0.48 -3.97 -0.67 1.74 -0.78 -5.17 116.66 109.73 2dng n ARG 108 Ca 0.26 -3.34 -0.22 0.00 -0.77 0.00 0.00 57.85 53.78 2dng n ARG 108 Cb 0.75 2.34 -0.05 0.00 -1.02 0.00 0.00 32.46 34.49 2dng n ARG 108 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2dng s SER 109 N -3.37 5.18 -0.06 0.55 0.15 -1.26 0.08 113.70 114.97 2dng s SER 109 Ca 0.31 -0.50 0.00 0.00 0.70 0.00 0.00 55.95 56.47 2dng s SER 109 Cb 0.02 -1.03 -0.03 0.00 -1.71 0.00 0.00 66.02 63.27 2dng s SER 109 CO 0.22 -0.24 -0.03 -0.76 1.20 0.00 0.00 173.24 173.63 2dng s LEU 110 N -3.91 3.37 -0.31 3.45 1.43 -1.01 -4.58 118.68 117.13 2dng s LEU 110 Ca 0.38 0.04 -0.02 0.00 -1.03 0.00 0.00 54.13 53.49 2dng s LEU 110 Cb -0.06 -1.79 0.10 0.00 0.03 0.00 0.00 46.19 44.48 2dng s LEU 110 CO 0.25 0.35 0.11 -0.60 0.23 0.00 0.00 176.35 176.70 2dng s ARG 111 N -0.98 0.55 -0.20 1.70 6.06 -1.19 -4.07 118.95 120.83 2dng s ARG 111 Ca 0.14 -0.92 -0.03 0.00 -2.50 0.00 0.00 55.73 52.42 2dng s ARG 111 Cb -0.11 -1.72 -0.01 0.00 0.06 0.00 0.00 34.95 33.17 2dng s ARG 111 CO 0.03 -1.01 -0.08 0.08 -2.50 0.00 0.00 175.30 171.83 2dng s VAL 112 N 1.73 3.20 0.05 7.11 1.01 -1.26 -0.43 120.40 131.80 2dng s VAL 112 Ca 0.10 -0.57 0.02 0.00 0.00 0.00 0.00 61.98 61.54 2dng s VAL 112 Cb -0.17 -2.42 -0.03 0.00 0.00 0.00 0.00 36.38 33.76 2dng s VAL 112 CO -0.28 0.46 -0.08 -0.62 0.00 0.00 0.00 175.10 174.58 2dng s ASP 113 N 1.18 0.89 0.11 3.32 2.15 0.56 -4.74 116.67 120.13 2dng s ASP 113 Ca 0.02 -0.59 -0.31 0.00 0.43 0.00 0.00 52.55 52.10 2dng s ASP 113 Cb -0.14 0.04 -0.08 0.00 -0.30 0.00 0.00 42.92 42.43 2dng s ASP 113 CO -0.02 -0.23 1.45 -0.63 -0.17 0.00 0.00 175.17 175.57 2dng s ILE 114 N -1.58 3.17 -1.31 4.11 1.01 -1.26 0.11 121.20 125.45 2dng s ILE 114 Ca -0.08 0.81 -0.12 0.00 0.00 0.00 0.00 60.65 61.27 2dng s ILE 114 Cb -0.09 -3.52 0.13 0.00 0.01 0.00 0.00 42.46 39.00 2dng s ILE 114 CO -0.00 0.05 1.88 0.00 0.00 0.00 0.00 174.94 176.87 2dng n ALA 115 N 4.17 5.06 -2.59 9.38 0.00 -1.07 -4.76 120.51 130.69 2dng n ALA 115 Ca 0.12 -4.18 -0.39 0.00 0.00 0.00 0.00 53.44 48.99 2dng n ALA 115 Cb 0.41 -3.16 -0.09 0.00 0.00 0.00 0.00 19.45 16.61 2dng n ALA 115 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2dng s GLU 116 N 1.45 3.93 -0.28 0.00 2.56 -1.26 -4.79 118.70 120.31 2dng s GLU 116 Ca 0.43 -0.05 -0.20 0.00 0.00 0.00 0.00 54.97 55.14 2dng s GLU 116 Cb 0.08 -3.68 0.09 0.00 2.00 0.00 0.00 34.13 32.62 2dng s GLU 116 CO -0.01 -0.32 0.80 0.20 -0.56 0.00 0.00 175.26 175.37 2dng s GLY 117 N 1.67 -0.42 0.16 -1.50 0.00 -1.26 -5.14 107.32 100.82 2dng s GLY 117 Ca 0.14 2.46 -0.31 0.00 0.00 0.00 0.00 44.72 47.02 2dng s GLY 117 CO 0.10 2.13 1.37 -1.60 0.00 0.00 0.00 173.10 175.11 2dng s ARG 118 N 0.96 4.33 -0.20 2.90 3.52 -1.26 -4.95 118.95 124.25 2dng s ARG 118 Ca -0.04 2.10 -0.21 0.00 -0.13 0.00 0.00 55.73 57.44 2dng s ARG 118 Cb -0.05 -3.21 -0.20 0.00 -1.56 0.00 0.00 34.95 29.93 2dng s ARG 118 CO -0.10 -0.38 0.24 -0.22 -0.81 0.00 0.00 175.30 174.03 2dng h LYS 119 N 6.13 0.01 -1.87 5.12 1.63 -2.03 -3.49 116.57 122.07 2dng h LYS 119 Ca -0.43 -0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.34 2dng h LYS 119 Cb 1.21 0.01 -0.21 0.00 -0.60 0.00 0.00 32.23 32.64 2dng h LYS 119 CO 0.83 1.01 0.27 -1.14 -3.45 0.00 0.00 179.45 176.97 2dng s GLN 120 N -2.36 0.85 0.13 1.90 2.00 -1.26 -5.15 119.66 115.78 2dng s GLN 120 Ca -0.28 0.45 -0.30 0.00 -2.00 0.00 0.00 55.36 53.23 2dng s GLN 120 Cb 0.06 0.41 -0.07 0.00 0.80 0.00 0.00 33.01 34.20 2dng s GLN 120 CO 0.60 -0.22 1.20 0.34 -0.50 0.00 0.00 175.29 176.71 2dng s ASP 121 N -0.64 7.09 -0.15 6.67 2.15 -1.26 -4.97 116.67 125.56 2dng s ASP 121 Ca -0.05 2.14 -0.29 0.00 0.43 0.00 0.00 52.55 54.78 2dng s ASP 121 Cb -0.02 -2.59 -0.03 0.00 -0.30 0.00 0.00 42.92 39.98 2dng s ASP 121 CO 0.04 -0.41 1.41 -0.75 -0.17 0.00 0.00 175.17 175.30 2dng s LYS 122 N 0.32 4.16 -0.21 4.34 2.47 -1.26 -5.00 119.74 124.56 2dng s LYS 122 Ca 0.55 1.79 0.01 0.00 -1.56 0.00 0.00 55.97 56.76 2dng s LYS 122 Cb -0.31 -3.86 0.03 0.00 -1.46 0.00 0.00 37.83 32.23 2dng s LYS 122 CO 0.33 -0.83 -0.15 0.45 0.16 0.00 0.00 175.35 175.31 2dng s SER 123 N 2.64 3.70 0.05 1.43 0.15 -1.26 -5.11 113.70 115.29 2dng s SER 123 Ca 0.62 -0.87 0.06 0.00 0.70 0.00 0.00 55.95 56.45 2dng s SER 123 Cb -0.25 -1.54 -0.02 0.00 -1.71 0.00 0.00 66.02 62.50 2dng s SER 123 CO 0.21 -0.07 -0.16 -0.83 1.20 0.00 0.00 173.24 173.59 2dng s GLY 124 N 1.25 0.89 0.27 9.45 0.00 -1.26 -5.13 107.32 112.79 2dng s GLY 124 Ca 0.01 -0.92 -0.29 0.00 0.00 0.00 0.00 44.72 43.51 2dng s GLY 124 CO -0.09 -0.90 1.04 2.56 0.00 0.00 0.00 173.10 175.71 2dng s PRO 125 N -1.31 4.69 -0.14 2.90 0.04 -1.26 -5.06 135.00 134.86 2dng s PRO 125 Ca 0.02 1.69 -0.06 0.00 0.04 0.00 0.00 61.00 62.69 2dng s PRO 125 Cb -0.09 -3.18 0.07 0.00 0.04 0.00 0.00 34.50 31.34 2dng s PRO 125 CO 0.02 0.29 0.31 0.45 0.04 0.00 0.00 177.00 178.11 2dng s SER 126 N -1.02 -0.00 -0.07 6.66 0.15 -1.26 -5.14 113.70 113.02 2dng s SER 126 Ca 0.44 0.70 -0.03 0.00 0.70 0.00 0.00 55.95 57.77 2dng s SER 126 Cb -0.29 0.79 0.04 0.00 -1.71 0.00 0.00 66.02 64.85 2dng s SER 126 CO 0.37 -0.22 0.14 -0.55 1.20 0.00 0.00 173.24 174.18 2dng s SER 127 N 2.11 0.45 0.00 5.45 0.15 -1.26 -5.36 113.70 115.24 2dng s SER 127 Ca -0.03 0.28 0.29 0.00 0.70 0.00 0.00 55.95 57.19 2dng s SER 127 Cb -0.11 0.19 1.21 0.00 -1.71 0.00 0.00 66.02 65.60 2dng s SER 127 CO -0.10 -0.21 1.84 0.61 1.20 0.00 0.00 173.24 176.58