#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 6.38 -0.20 1.61 1.04 -1.26 -5.03 113.70 116.24 2dng s SER 27 Ca 0.00 -0.20 -0.09 0.00 0.48 0.00 0.00 55.95 56.14 2dng s SER 27 Cb 0.00 -2.37 -0.05 0.00 0.10 0.00 0.00 66.02 63.70 2dng s SER 27 CO 0.00 -0.92 0.11 -0.55 0.98 0.00 0.00 173.24 172.86 2dng s SER 28 N 2.19 5.92 0.06 7.02 0.15 -1.26 -5.09 113.70 122.69 2dng s SER 28 Ca 0.28 0.13 0.02 0.00 0.70 0.00 0.00 55.95 57.08 2dng s SER 28 Cb -0.13 -2.04 -0.03 0.00 -1.71 0.00 0.00 66.02 62.11 2dng s SER 28 CO 0.21 0.14 -0.07 -0.83 1.20 0.00 0.00 173.24 173.89 2dng s GLY 29 N 0.58 0.60 -0.25 9.45 0.00 -1.26 -5.13 107.32 111.31 2dng s GLY 29 Ca 0.06 -0.97 0.01 0.00 0.00 0.00 0.00 44.72 43.82 2dng s GLY 29 CO 0.01 -1.04 -0.02 -0.45 0.00 0.00 0.00 173.10 171.60 2dng s SER 30 N -2.08 3.88 0.35 1.64 0.15 -1.26 -5.12 113.70 111.26 2dng s SER 30 Ca -0.03 -1.29 0.07 0.00 0.70 0.00 0.00 55.95 55.40 2dng s SER 30 Cb -0.05 -1.13 -0.01 0.00 -1.71 0.00 0.00 66.02 63.12 2dng s SER 30 CO -0.01 -0.28 0.46 -0.94 1.20 0.00 0.00 173.24 173.67 2dng s SER 31 N 1.41 5.80 0.00 5.45 1.04 -1.26 -4.86 113.70 121.28 2dng s SER 31 Ca -0.02 -0.28 0.00 0.00 0.48 0.00 0.00 55.95 56.12 2dng s SER 31 Cb -0.19 -1.09 0.00 0.00 0.10 0.00 0.00 66.02 64.85 2dng s SER 31 CO -0.09 -0.48 0.00 0.61 0.98 0.00 0.00 173.24 174.27 2dng n GLY 32 N -1.63 1.61 3.76 7.32 0.00 -1.26 -5.11 105.19 109.89 2dng n GLY 32 Ca 0.01 -0.32 -0.39 0.00 0.00 0.00 0.00 46.02 45.32 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 3.74 -0.75 1.61 -2.85 -1.26 -4.96 119.74 115.27 2dng s LYS 33 Ca 0.00 2.18 -0.17 0.00 -1.00 0.00 0.00 55.97 56.98 2dng s LYS 33 Cb 0.00 -2.61 0.16 0.00 -2.06 0.00 0.00 37.83 33.32 2dng s LYS 33 CO 0.00 -0.69 0.80 -1.21 0.10 0.00 0.00 175.35 174.35 2dng s GLU 34 N -2.46 3.38 0.51 1.78 8.01 -1.26 -5.05 118.70 123.62 2dng s GLU 34 Ca 0.61 -1.92 -0.18 0.00 0.01 0.00 0.00 54.97 53.49 2dng s GLU 34 Cb -0.38 -4.47 -0.08 0.00 -4.31 0.00 0.00 34.13 24.88 2dng s GLU 34 CO 0.48 -1.47 0.99 -0.51 0.01 0.00 0.00 175.26 174.77 2dng s LEU 35 N 1.54 3.69 0.71 1.80 1.43 -1.26 -5.04 118.68 121.55 2dng s LEU 35 Ca 0.18 1.67 -0.13 0.00 -1.03 0.00 0.00 54.13 54.81 2dng s LEU 35 Cb -0.15 -4.52 0.03 0.00 0.03 0.00 0.00 46.19 41.57 2dng s LEU 35 CO -0.04 -0.65 1.11 -2.16 0.23 0.00 0.00 176.35 174.84 2dng s PRO 36 N -3.81 2.51 -0.17 1.29 0.04 -1.26 -5.00 135.00 128.60 2dng s PRO 36 Ca 0.61 1.36 0.03 0.00 0.04 0.00 0.00 61.00 63.05 2dng s PRO 36 Cb -0.11 -1.92 -0.12 0.00 0.04 0.00 0.00 34.50 32.39 2dng s PRO 36 CO 0.27 -1.47 -0.12 2.41 0.04 0.00 0.00 177.00 178.13 2dng n THR 37 N -2.84 1.00 -4.08 1.26 -1.04 -1.26 -5.04 114.28 102.28 2dng n THR 37 Ca 0.10 -0.42 -0.11 0.00 -2.04 0.00 0.00 64.05 61.58 2dng n THR 37 Cb 0.52 -1.04 -0.11 0.00 -1.82 0.00 0.00 70.33 67.88 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 -2.35 0.58 1.04 -2.82 -1.05 -1.26 -5.12 118.70 107.73 2dng s GLU 38 Ca -0.21 -0.95 -0.13 0.00 -0.15 0.00 0.00 54.97 53.54 2dng s GLU 38 Cb 0.06 -0.14 0.21 0.00 -0.44 0.00 0.00 34.13 33.82 2dng s GLU 38 CO 0.43 -0.00 1.08 -1.25 0.95 0.00 0.00 175.26 176.47 2dng s PRO 39 N -2.45 0.06 0.98 -4.83 0.04 -1.26 -4.72 135.00 122.81 2dng s PRO 39 Ca -0.03 0.58 -0.12 0.00 0.04 0.00 0.00 61.00 61.47 2dng s PRO 39 Cb -0.04 -1.69 0.18 0.00 0.04 0.00 0.00 34.50 32.99 2dng s PRO 39 CO -0.02 -3.00 1.09 -1.25 0.04 0.00 0.00 177.00 173.86 2dng s PRO 40 N -4.85 0.60 -0.32 0.56 0.04 -1.26 -5.14 135.00 124.63 2dng s PRO 40 Ca 0.66 0.58 0.04 0.00 0.04 0.00 0.00 61.00 62.32 2dng s PRO 40 Cb -0.20 -1.75 0.09 0.00 0.04 0.00 0.00 34.50 32.68 2dng s PRO 40 CO 0.59 -2.63 0.02 0.71 0.04 0.00 0.00 177.00 175.73 2dng s TYR 41 N -2.96 3.63 0.06 0.56 2.02 -1.25 -5.05 117.35 114.36 2dng s TYR 41 Ca 0.65 -2.85 0.04 0.00 -0.37 0.00 0.00 57.07 54.54 2dng s TYR 41 Cb -0.18 -2.71 -0.04 0.00 -0.40 0.00 0.00 41.96 38.63 2dng s TYR 41 CO 0.57 -0.93 -0.03 0.99 -1.57 0.00 0.00 175.55 174.58 2dng s THR 42 N 0.95 3.85 0.03 -0.71 2.01 -1.26 -0.17 115.64 120.34 2dng s THR 42 Ca 0.07 -0.95 0.04 0.00 0.31 0.00 0.00 61.69 61.16 2dng s THR 42 Cb -0.19 -2.78 -0.02 0.00 0.01 0.00 0.00 72.50 69.52 2dng s THR 42 CO -0.08 0.20 -0.11 0.00 -0.69 0.00 0.00 174.62 173.94 2dng s ALA 43 N -1.20 0.92 -0.05 7.40 0.00 0.76 -4.20 121.76 125.39 2dng s ALA 43 Ca 0.23 -0.69 -0.09 0.00 0.00 0.00 0.00 51.96 51.41 2dng s ALA 43 Cb -0.11 -0.13 -0.05 0.00 0.00 0.00 0.00 23.12 22.83 2dng s ALA 43 CO 0.14 0.16 0.25 -0.47 0.00 0.00 0.00 175.76 175.84 2dng s TYR 44 N -0.79 3.62 -0.04 0.00 6.14 -0.80 -0.13 117.35 125.37 2dng s TYR 44 Ca -0.00 0.65 -0.01 0.00 0.64 0.00 0.00 57.07 58.35 2dng s TYR 44 Cb -0.07 -2.04 0.03 0.00 0.42 0.00 0.00 41.96 40.30 2dng s TYR 44 CO 0.01 0.67 0.04 0.08 0.64 0.00 0.00 175.55 176.99 2dng s VAL 45 N -1.14 -0.04 0.29 3.14 1.01 -0.30 -2.06 120.40 121.31 2dng s VAL 45 Ca 0.21 0.32 0.01 0.00 0.00 0.00 0.00 61.98 62.53 2dng s VAL 45 Cb -0.14 -0.17 -0.01 0.00 0.00 0.00 0.00 36.38 36.07 2dng s VAL 45 CO 0.10 0.16 0.05 0.61 0.00 0.00 0.00 175.10 176.02 2dng n GLY 46 N 4.89 3.66 2.49 4.51 0.00 -0.04 -1.46 105.19 119.24 2dng n GLY 46 Ca -0.12 -2.16 -0.11 0.00 0.00 0.00 0.00 46.02 43.63 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 -1.49 -2.43 -4.34 1.61 5.15 -1.26 -2.42 115.26 110.08 2dng n ASN 47 Ca -0.08 -0.36 -0.30 0.00 -0.60 0.00 0.00 54.58 53.24 2dng n ASN 47 Cb 0.40 -3.24 -0.15 0.00 -0.53 0.00 0.00 39.78 36.26 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 -4.62 2.16 1.00 1.20 1.43 -1.24 -4.31 118.68 114.30 2dng s LEU 48 Ca 0.05 -0.56 -0.16 0.00 -1.03 0.00 0.00 54.13 52.43 2dng s LEU 48 Cb -0.02 -1.30 -0.01 0.00 0.03 0.00 0.00 46.19 44.89 2dng s LEU 48 CO 0.43 0.27 -0.07 -2.65 0.23 0.00 0.00 176.35 174.56 2dng n PRO 49 N 1.89 -0.46 -0.03 1.29 -0.02 -1.26 -4.81 135.00 131.60 2dng n PRO 49 Ca -0.17 -0.11 -0.08 0.00 -2.02 0.00 0.00 63.50 61.12 2dng n PRO 49 Cb 0.52 -1.58 0.08 0.00 -0.02 0.00 0.00 33.50 32.50 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 -1.50 0.76 -0.53 6.00 -1.00 -1.95 -3.17 116.94 115.54 2dng h PHE 50 Ca -0.45 -0.22 -0.33 0.00 2.81 0.00 0.00 57.97 59.78 2dng h PHE 50 Cb 1.31 -0.16 -0.12 0.00 3.61 0.00 0.00 35.95 40.59 2dng h PHE 50 CO 0.28 0.94 0.09 0.09 -1.61 0.00 0.00 178.31 178.09 2dng n ASN 51 N -4.03 5.95 -4.41 2.17 3.02 -1.26 -4.86 115.26 111.84 2dng n ASN 51 Ca -0.02 -2.87 -0.39 0.00 -0.03 0.00 0.00 54.58 51.28 2dng n ASN 51 Cb 0.52 -1.27 -0.12 0.00 -0.61 0.00 0.00 39.78 38.31 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 -0.93 4.46 0.18 3.41 2.01 -1.20 -5.05 115.64 118.51 2dng s THR 52 Ca 0.54 -0.57 0.09 0.00 0.31 0.00 0.00 61.69 62.06 2dng s THR 52 Cb 0.31 -3.32 -0.04 0.00 0.01 0.00 0.00 72.50 69.46 2dng s THR 52 CO -0.10 0.01 -0.10 0.68 -0.69 0.00 0.00 174.62 174.42 2dng s VAL 53 N 1.58 3.16 0.29 3.82 -7.23 -1.26 -5.00 120.40 115.76 2dng s VAL 53 Ca 0.04 -1.66 0.08 0.00 -1.81 0.00 0.00 61.98 58.63 2dng s VAL 53 Cb -0.17 -2.56 0.35 0.00 0.56 0.00 0.00 36.38 34.55 2dng s VAL 53 CO 0.06 -0.10 1.39 1.67 -0.31 0.00 0.00 175.10 177.80 2dng n GLN 54 N 0.08 -0.06 -0.16 4.82 7.27 -1.26 -0.38 117.38 127.68 2dng n GLN 54 Ca -0.11 1.28 -0.13 0.00 0.07 0.00 0.00 57.00 58.12 2dng n GLN 54 Cb 0.55 -2.14 -0.08 0.00 2.41 0.00 0.00 30.24 30.98 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 -0.88 -0.09 1.69 0.00 -1.99 0.27 103.07 102.07 2dng h GLY 55 Ca 0.62 0.68 0.02 0.00 0.00 0.00 0.00 47.33 48.65 2dng h GLY 55 CO -0.77 -0.12 -0.39 -0.55 0.00 0.00 0.00 176.54 174.71 2dng h ASP 56 N -0.35 -1.22 -0.75 0.19 5.19 -1.12 -1.67 116.42 116.68 2dng h ASP 56 Ca 0.10 0.14 0.16 0.00 -0.62 0.00 0.00 57.03 56.81 2dng h ASP 56 Cb 0.58 0.48 -0.14 0.00 0.18 0.00 0.00 39.33 40.43 2dng h ASP 56 CO -0.62 -0.34 -0.11 0.40 -3.12 0.00 0.00 179.24 175.45 2dng h ILE 57 N -0.42 0.28 -0.87 0.35 1.08 -1.42 0.32 117.51 116.83 2dng h ILE 57 Ca 0.02 -0.01 0.17 0.00 -0.39 0.00 0.00 64.86 64.65 2dng h ILE 57 Cb 0.48 0.24 -0.10 0.00 -3.07 0.00 0.00 36.82 34.37 2dng h ILE 57 CO -0.31 0.01 0.43 -0.78 -0.69 0.00 0.00 178.15 176.81 2dng h ASP 58 N 0.04 0.47 0.02 1.72 1.82 -0.07 0.15 116.42 120.56 2dng h ASP 58 Ca 0.39 0.11 -0.11 0.00 -0.39 0.00 0.00 57.03 57.03 2dng h ASP 58 Cb 0.64 0.05 -0.01 0.00 0.68 0.00 0.00 39.33 40.68 2dng h ASP 58 CO -0.73 0.15 -0.33 0.00 -1.61 0.00 0.00 179.24 176.72 2dng h ALA 59 N 1.61 1.05 0.98 -0.78 0.00 0.34 -0.24 119.26 122.23 2dng h ALA 59 Ca 0.50 -0.38 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 2dng h ALA 59 Cb 0.80 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.49 2dng h ALA 59 CO -0.42 0.58 -0.47 0.82 0.00 0.00 0.00 179.25 179.76 2dng h ILE 60 N 0.38 0.00 -0.45 0.00 2.04 0.30 -2.91 117.51 116.87 2dng h ILE 60 Ca 0.05 -0.03 -0.13 0.00 1.00 0.00 0.00 64.86 65.75 2dng h ILE 60 Cb 0.76 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.76 2dng h ILE 60 CO 0.06 0.00 0.16 0.49 0.00 0.00 0.00 178.15 178.86 2dng n PHE 61 N -5.65 1.49 -0.30 1.37 3.72 -0.80 -4.46 117.46 112.83 2dng n PHE 61 Ca -0.16 -0.79 0.25 0.00 -0.05 0.00 0.00 57.45 56.70 2dng n PHE 61 Cb 0.52 -0.48 0.57 0.00 -0.94 0.00 0.00 39.48 39.15 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 1.67 0.29 -0.50 -1.08 2.10 -0.82 0.34 116.57 118.58 2dng h LYS 62 Ca 0.15 -0.02 -0.10 0.00 -2.00 0.00 0.00 60.65 58.69 2dng h LYS 62 Cb 1.69 -0.07 -0.02 0.00 -0.90 0.00 0.00 32.23 32.93 2dng h LYS 62 CO 0.44 0.19 -0.09 0.38 -2.00 0.00 0.00 179.45 178.37 2dng h ASP 63 N 0.30 0.90 -4.15 7.07 2.03 -1.83 -3.45 116.42 117.30 2dng h ASP 63 Ca 0.56 -0.28 -0.42 0.00 -0.73 0.00 0.00 57.03 56.16 2dng h ASP 63 Cb 1.60 -0.24 0.15 0.00 -0.83 0.00 0.00 39.33 40.00 2dng h ASP 63 CO -0.21 1.02 0.33 0.18 -1.03 0.00 0.00 179.24 179.53 2dng n LEU 64 N -4.16 0.00 -4.67 0.15 4.77 0.12 -5.05 117.00 108.16 2dng n LEU 64 Ca 0.02 -1.53 -0.37 0.00 -0.03 0.00 0.00 56.01 54.09 2dng n LEU 64 Cb 0.38 -0.89 -0.09 0.00 -2.33 0.00 0.00 43.42 40.50 2dng n LEU 64 CO 0.44 -1.30 -0.06 -0.44 -1.33 0.00 0.00 177.39 174.70 2dng s SER 65 N -5.45 6.25 -0.27 -1.43 0.01 -1.26 -4.99 113.70 106.56 2dng s SER 65 Ca 0.70 0.28 0.00 0.00 1.31 0.00 0.00 55.95 58.24 2dng s SER 65 Cb -0.02 -2.16 0.05 0.00 0.21 0.00 0.00 66.02 64.10 2dng s SER 65 CO 0.48 0.01 -0.07 -0.63 0.41 0.00 0.00 173.24 173.45 2dng s ILE 66 N 1.13 2.58 -0.00 1.44 1.01 -1.26 -3.50 121.20 122.59 2dng s ILE 66 Ca 0.12 -1.40 -0.07 0.00 0.00 0.00 0.00 60.65 59.30 2dng s ILE 66 Cb -0.14 -2.44 -0.30 0.00 0.01 0.00 0.00 42.46 39.59 2dng s ILE 66 CO 0.06 0.02 0.85 -0.09 0.00 0.00 0.00 174.94 175.77 2dng h ARG 67 N 7.90 0.34 -1.44 2.79 9.65 -1.67 -3.49 114.38 128.47 2dng h ARG 67 Ca -0.24 -0.58 0.12 0.00 -1.10 0.00 0.00 59.98 58.18 2dng h ARG 67 Cb 1.07 0.22 -0.25 0.00 -1.39 0.00 0.00 29.97 29.61 2dng h ARG 67 CO 0.52 1.23 0.63 -1.54 2.80 0.00 0.00 179.97 183.61 2dng s SER 68 N -7.18 -0.30 -0.20 -3.80 1.04 -1.25 -5.03 113.70 96.99 2dng s SER 68 Ca -0.10 0.37 0.01 0.00 0.48 0.00 0.00 55.95 56.70 2dng s SER 68 Cb 0.06 0.30 0.04 0.00 0.10 0.00 0.00 66.02 66.52 2dng s SER 68 CO 0.87 -0.24 -0.10 -0.69 0.98 0.00 0.00 173.24 174.05 2dng s VAL 69 N -0.89 1.64 -0.41 5.02 1.01 -1.26 -0.25 120.40 125.26 2dng s VAL 69 Ca 0.01 -1.00 -0.18 0.00 0.00 0.00 0.00 61.98 60.82 2dng s VAL 69 Cb -0.01 -1.71 0.02 0.00 0.00 0.00 0.00 36.38 34.67 2dng s VAL 69 CO -0.02 0.18 0.48 -0.13 0.00 0.00 0.00 175.10 175.61 2dng s ARG 70 N 1.40 3.24 -0.32 2.72 0.52 0.37 -4.97 118.95 121.91 2dng s ARG 70 Ca -0.01 -0.58 -0.18 0.00 -0.52 0.00 0.00 55.73 54.44 2dng s ARG 70 Cb -0.16 -3.93 -0.01 0.00 0.52 0.00 0.00 34.95 31.37 2dng s ARG 70 CO -0.08 -0.83 0.52 -0.51 0.02 0.00 0.00 175.30 174.42 2dng s LEU 71 N 2.30 4.22 0.03 2.53 1.43 -1.26 -0.51 118.68 127.42 2dng s LEU 71 Ca 0.15 0.19 -0.30 0.00 -1.03 0.00 0.00 54.13 53.14 2dng s LEU 71 Cb -0.16 -2.62 -0.08 0.00 0.03 0.00 0.00 46.19 43.36 2dng s LEU 71 CO 0.15 -0.41 1.72 -0.69 0.23 0.00 0.00 176.35 177.34 2dng s VAL 72 N 2.38 3.17 0.48 -1.59 1.01 -1.13 -4.88 120.40 119.85 2dng s VAL 72 Ca 0.20 0.45 0.06 0.00 0.00 0.00 0.00 61.98 62.69 2dng s VAL 72 Cb -0.15 -3.29 -0.01 0.00 0.00 0.00 0.00 36.38 32.93 2dng s VAL 72 CO 0.12 -0.02 0.28 -0.13 0.00 0.00 0.00 175.10 175.35 2dng s ARG 73 N 3.38 2.28 0.99 2.72 0.52 -1.26 -0.56 118.95 127.01 2dng s ARG 73 Ca 0.77 -1.93 -0.17 0.00 -0.52 0.00 0.00 55.73 53.88 2dng s ARG 73 Cb -0.39 -2.03 0.23 0.00 0.52 0.00 0.00 34.95 33.28 2dng s ARG 73 CO 0.33 -0.36 1.22 -0.25 0.02 0.00 0.00 175.30 176.26 2dng n ASP 74 N -1.50 -0.39 0.02 0.23 8.00 0.32 -4.78 116.55 118.45 2dng n ASP 74 Ca -0.03 -1.39 0.10 0.00 0.71 0.00 0.00 54.79 54.19 2dng n ASP 74 Cb 0.64 -0.97 -0.12 0.00 -0.02 0.00 0.00 41.12 40.66 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 -3.91 0.64 0.00 -1.24 3.00 -1.26 -3.79 118.16 111.61 2dng n LYS 75 Ca 0.16 -0.08 0.00 0.00 -0.00 0.00 0.00 58.31 58.38 2dng n LYS 75 Cb 0.55 -1.62 0.00 0.00 0.00 0.00 0.00 35.03 33.96 2dng n LYS 75 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2dng n ASP 76 N -2.42 0.00 0.28 3.14 2.03 -1.26 -4.68 116.55 113.64 2dng n ASP 76 Ca -0.04 0.00 0.14 0.00 0.52 0.00 0.00 54.79 55.41 2dng n ASP 76 Cb 0.60 -0.32 0.80 0.00 -0.72 0.00 0.00 41.12 41.48 2dng n ASP 76 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 2dng h THR 77 N 0.00 0.51 -5.68 5.18 1.35 -2.00 -3.46 112.91 108.81 2dng h THR 77 Ca 0.00 -0.37 -0.39 0.00 -0.55 0.00 0.00 66.41 65.10 2dng h THR 77 Cb 0.00 1.25 0.13 0.00 -1.73 0.00 0.00 68.15 67.80 2dng h THR 77 CO 0.00 0.08 -0.66 0.47 -0.25 0.00 0.00 175.52 175.16 2dng n ASP 78 N -3.65 -6.29 -4.42 5.36 9.92 -1.25 -4.91 116.55 111.32 2dng n ASP 78 Ca -0.02 -0.52 -0.24 0.00 -0.53 0.00 0.00 54.79 53.49 2dng n ASP 78 Cb 0.19 -4.92 -0.11 0.00 -0.64 0.00 0.00 41.12 35.65 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 -6.27 1.54 0.45 -1.24 -0.14 -1.26 -4.59 119.74 108.23 2dng s LYS 79 Ca 0.57 -1.64 -0.13 0.00 -1.36 0.00 0.00 55.97 53.40 2dng s LYS 79 Cb -0.25 -1.64 -0.11 0.00 -1.68 0.00 0.00 37.83 34.15 2dng s LYS 79 CO 0.70 0.32 -0.20 0.34 -0.76 0.00 0.00 175.35 175.75 2dng n PHE 80 N -0.25 -2.53 -0.02 3.18 7.35 -1.26 -0.53 117.46 123.40 2dng n PHE 80 Ca -0.08 0.27 -0.03 0.00 -0.76 0.00 0.00 57.45 56.84 2dng n PHE 80 Cb 0.59 -1.23 -0.02 0.00 0.35 0.00 0.00 39.48 39.16 2dng n PHE 80 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 2dng n LYS 81 N 1.28 0.33 0.00 -4.13 5.02 0.27 -4.54 118.16 116.40 2dng n LYS 81 Ca 0.04 0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 2dng n LYS 81 Cb 0.37 -1.10 0.00 0.00 -0.02 0.00 0.00 35.03 34.28 2dng n LYS 81 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2dng n GLY 82 N 3.23 2.23 3.65 0.72 0.00 -1.26 -5.02 105.19 108.73 2dng n GLY 82 Ca -0.09 -0.23 -0.27 0.00 0.00 0.00 0.00 46.02 45.44 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 2.80 0.14 1.61 -0.71 -1.26 -3.65 117.98 116.91 2dng s PHE 83 Ca 0.00 -0.15 -0.10 0.00 -1.04 0.00 0.00 56.93 55.63 2dng s PHE 83 Cb 0.00 -1.36 0.00 0.00 -1.21 0.00 0.00 43.02 40.45 2dng s PHE 83 CO 0.00 0.52 0.29 0.00 -1.34 0.00 0.00 175.22 174.69 2dng s TYR 85 N -3.91 2.85 -0.16 0.00 1.51 0.33 -1.15 117.35 116.83 2dng s TYR 85 Ca 0.11 -0.85 -0.07 0.00 -1.01 0.00 0.00 57.07 55.26 2dng s TYR 85 Cb 0.03 -1.93 -0.04 0.00 -0.11 0.00 0.00 41.96 39.91 2dng s TYR 85 CO -0.05 -0.38 0.07 0.08 -1.11 0.00 0.00 175.55 174.16 2dng s VAL 86 N 0.81 4.89 -0.15 0.71 1.01 0.82 -0.48 120.40 128.01 2dng s VAL 86 Ca -0.04 -0.01 -0.09 0.00 0.00 0.00 0.00 61.98 61.84 2dng s VAL 86 Cb -0.15 -3.17 -0.05 0.00 0.00 0.00 0.00 36.38 33.01 2dng s VAL 86 CO 0.01 0.51 0.17 -0.70 0.00 0.00 0.00 175.10 175.08 2dng s GLU 87 N -0.06 3.84 0.18 2.72 2.56 0.66 -0.17 118.70 128.43 2dng s GLU 87 Ca 0.07 -0.11 0.10 0.00 0.00 0.00 0.00 54.97 55.03 2dng s GLU 87 Cb -0.12 -3.30 -0.04 0.00 2.00 0.00 0.00 34.13 32.66 2dng s GLU 87 CO 0.01 0.54 -0.15 -0.06 -0.56 0.00 0.00 175.26 175.04 2dng s PHE 88 N -0.35 2.52 -0.01 5.30 0.08 0.76 -1.81 117.98 124.46 2dng s PHE 88 Ca 0.13 -0.27 -0.05 0.00 0.12 0.00 0.00 56.93 56.86 2dng s PHE 88 Cb -0.12 -1.24 -0.03 0.00 -0.57 0.00 0.00 43.02 41.06 2dng s PHE 88 CO 0.02 0.51 0.47 -0.44 -0.10 0.00 0.00 175.22 175.68 2dng h ASP 89 N 3.02 -0.16 -1.18 1.36 5.19 -1.84 -3.33 116.42 119.49 2dng h ASP 89 Ca -0.47 0.01 -0.46 0.00 -0.62 0.00 0.00 57.03 55.49 2dng h ASP 89 Cb 1.21 0.04 0.02 0.00 0.18 0.00 0.00 39.33 40.77 2dng h ASP 89 CO 0.52 -0.01 -0.21 -1.61 -3.12 0.00 0.00 179.24 174.81 2dng s GLU 90 N -2.33 2.59 0.01 3.56 0.41 -1.26 -4.68 118.70 117.01 2dng s GLU 90 Ca -0.03 -1.44 -0.24 0.00 -0.41 0.00 0.00 54.97 52.85 2dng s GLU 90 Cb 0.00 -2.66 -0.17 0.00 -1.78 0.00 0.00 34.13 29.52 2dng s GLU 90 CO 0.08 -0.49 1.36 -0.24 -0.49 0.00 0.00 175.26 175.49 2dng h VAL 91 N 0.51 1.32 -0.82 2.63 3.04 -1.97 -3.29 116.25 117.68 2dng h VAL 91 Ca -0.36 -1.03 0.07 0.00 -1.01 0.00 0.00 66.70 64.38 2dng h VAL 91 Cb 1.28 1.89 -0.10 0.00 -2.01 0.00 0.00 31.29 32.36 2dng h VAL 91 CO 0.45 0.28 -0.48 0.47 -1.01 0.00 0.00 177.57 177.28 2dng n ASP 92 N -4.80 -0.87 -0.35 3.17 9.92 -1.26 0.22 116.55 122.59 2dng n ASP 92 Ca -0.07 1.46 -0.00 0.00 -0.53 0.00 0.00 54.79 55.64 2dng n ASP 92 Cb 0.25 -0.19 0.06 0.00 -0.64 0.00 0.00 41.12 40.59 2dng n ASP 92 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 2dng h SER 93 N 0.00 -1.29 0.09 -2.24 0.02 -1.96 0.79 113.55 108.95 2dng h SER 93 Ca 0.13 0.30 -0.00 0.00 -0.84 0.00 0.00 61.79 61.37 2dng h SER 93 Cb 0.34 0.70 0.00 0.00 0.14 0.00 0.00 62.40 63.58 2dng h SER 93 CO -0.77 -0.30 -0.04 0.25 -1.14 0.00 0.00 176.83 174.83 2dng h LEU 94 N -0.02 -0.10 -0.78 5.07 5.85 -0.35 -1.18 115.31 123.79 2dng h LEU 94 Ca 0.36 0.00 0.24 0.00 0.84 0.00 0.00 57.88 59.32 2dng h LEU 94 Cb 0.61 0.03 -0.15 0.00 0.37 0.00 0.00 40.66 41.52 2dng h LEU 94 CO -0.95 -0.07 0.10 1.17 -0.34 0.00 0.00 178.44 178.35 2dng n LYS 95 N -2.33 -0.06 0.17 1.25 4.81 -0.49 0.82 118.16 122.33 2dng n LYS 95 Ca -0.01 1.16 -0.14 0.00 -0.87 0.00 0.00 58.31 58.44 2dng n LYS 95 Cb 0.05 -1.88 -0.08 0.00 0.02 0.00 0.00 35.03 33.13 2dng n LYS 95 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 2dng h GLU 96 N 0.00 -0.40 -1.00 1.64 4.22 -0.75 -2.94 114.58 115.36 2dng h GLU 96 Ca 0.52 0.03 0.22 0.00 0.08 0.00 0.00 59.36 60.20 2dng h GLU 96 Cb 1.15 0.09 -0.10 0.00 0.50 0.00 0.00 28.75 30.39 2dng h GLU 96 CO -0.71 -0.15 0.62 0.00 -2.18 0.00 0.00 179.01 176.59 2dng h ALA 97 N 0.03 1.89 0.00 2.92 0.00 0.17 0.27 119.26 124.53 2dng h ALA 97 Ca -0.04 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2dng h ALA 97 Cb 0.43 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2dng h ALA 97 CO 0.07 -0.27 0.51 -0.07 0.00 0.00 0.00 179.25 179.49 2dng h LEU 98 N 0.61 0.00 -0.09 0.00 3.38 -0.95 0.62 115.31 118.89 2dng h LEU 98 Ca 0.58 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 58.30 2dng h LEU 98 Cb 1.12 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.88 2dng h LEU 98 CO -0.35 0.00 -1.02 0.71 0.09 0.00 0.00 178.44 177.87 2dng h THR 99 N 0.00 1.38 -0.12 0.22 1.35 -0.58 -3.18 112.91 111.98 2dng h THR 99 Ca 0.00 -2.47 0.03 0.00 -0.55 0.00 0.00 66.41 63.43 2dng h THR 99 Cb 1.03 2.48 -0.00 0.00 -1.73 0.00 0.00 68.15 69.93 2dng h THR 99 CO 0.00 0.74 0.64 1.88 -0.25 0.00 0.00 175.52 178.53 2dng h TYR 100 N 0.25 0.00 -0.18 4.73 -1.99 0.13 -3.37 116.97 116.54 2dng h TYR 100 Ca -0.10 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.61 2dng h TYR 100 Cb 1.67 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 40.39 2dng h TYR 100 CO 0.07 0.00 0.17 -3.47 -0.00 0.00 0.00 178.16 174.93 2dng n ASP 101 N -2.87 1.18 0.00 3.88 2.03 -1.20 -0.47 116.55 119.11 2dng n ASP 101 Ca 0.02 -1.92 0.00 0.00 0.52 0.00 0.00 54.79 53.41 2dng n ASP 101 Cb 0.70 -1.58 0.00 0.00 -0.72 0.00 0.00 41.12 39.52 2dng n ASP 101 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2dng n GLY 102 N 6.29 0.49 3.91 0.27 0.00 -1.25 -4.96 105.19 109.93 2dng n GLY 102 Ca 0.42 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.16 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 2.82 -0.06 4.61 0.00 0.39 -4.90 121.76 124.61 2dng s ALA 103 Ca 0.00 -0.67 0.04 0.00 0.00 0.00 0.00 51.96 51.32 2dng s ALA 103 Cb 0.00 -2.88 -0.02 0.00 0.00 0.00 0.00 23.12 20.22 2dng s ALA 103 CO 0.00 -1.50 -0.15 -0.51 0.00 0.00 0.00 175.76 173.60 2dng s LEU 104 N -5.46 2.65 -0.43 0.00 1.43 -1.26 -1.83 118.68 113.77 2dng s LEU 104 Ca 0.61 -0.25 -0.01 0.00 -1.03 0.00 0.00 54.13 53.45 2dng s LEU 104 Cb -0.11 -1.54 0.12 0.00 0.03 0.00 0.00 46.19 44.69 2dng s LEU 104 CO 0.48 0.32 0.21 -0.22 0.23 0.00 0.00 176.35 177.37 2dng s LEU 105 N -0.55 5.12 0.00 1.79 2.96 0.20 -4.91 118.68 123.28 2dng s LEU 105 Ca 0.08 -2.23 0.00 0.00 -0.22 0.00 0.00 54.13 51.76 2dng s LEU 105 Cb -0.11 -1.79 0.00 0.00 0.50 0.00 0.00 46.19 44.79 2dng s LEU 105 CO 0.01 -0.47 0.00 0.61 -1.32 0.00 0.00 176.35 175.18 2dng n GLY 106 N 4.29 3.10 1.77 7.98 0.00 -1.26 -1.43 105.19 119.63 2dng n GLY 106 Ca 0.01 0.09 0.07 0.00 0.00 0.00 0.00 46.02 46.20 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 9.83 5.31 -3.76 1.61 2.03 -1.26 -4.94 116.55 125.36 2dng n ASP 107 Ca 0.00 -2.76 -0.15 0.00 0.52 0.00 0.00 54.79 52.40 2dng n ASP 107 Cb 0.00 -0.65 -0.08 0.00 -0.72 0.00 0.00 41.12 39.67 2dng n ASP 107 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2dng s ARG 108 N -2.45 1.52 0.58 -0.67 1.81 -0.52 -5.12 118.95 114.10 2dng s ARG 108 Ca 0.52 -1.76 0.09 0.00 -1.72 0.00 0.00 55.73 52.87 2dng s ARG 108 Cb 0.38 0.33 0.09 0.00 -0.45 0.00 0.00 34.95 35.29 2dng s ARG 108 CO 0.18 -0.56 0.76 -1.12 -0.68 0.00 0.00 175.30 173.89 2dng s SER 109 N -3.23 5.03 0.03 0.23 0.01 -1.26 0.60 113.70 115.10 2dng s SER 109 Ca 0.37 -0.91 0.07 0.00 1.31 0.00 0.00 55.95 56.79 2dng s SER 109 Cb 0.04 0.36 -0.02 0.00 0.21 0.00 0.00 66.02 66.61 2dng s SER 109 CO 0.18 -1.35 -0.20 -0.76 0.41 0.00 0.00 173.24 171.52 2dng s LEU 110 N -4.64 2.14 -0.31 2.44 1.43 -0.76 -4.41 118.68 114.56 2dng s LEU 110 Ca 0.59 -0.48 -0.02 0.00 -1.03 0.00 0.00 54.13 53.19 2dng s LEU 110 Cb -0.05 -0.97 0.10 0.00 0.03 0.00 0.00 46.19 45.30 2dng s LEU 110 CO 0.37 0.17 0.12 -0.60 0.23 0.00 0.00 176.35 176.64 2dng s ARG 111 N -1.01 0.56 -0.15 1.70 6.06 -1.02 -3.90 118.95 121.20 2dng s ARG 111 Ca 0.07 -0.94 -0.02 0.00 -2.50 0.00 0.00 55.73 52.34 2dng s ARG 111 Cb -0.08 -1.72 -0.02 0.00 0.06 0.00 0.00 34.95 33.19 2dng s ARG 111 CO 0.01 -1.01 -0.07 0.08 -2.50 0.00 0.00 175.30 171.81 2dng s VAL 112 N 1.71 3.59 0.04 7.11 1.01 -1.26 -0.86 120.40 131.74 2dng s VAL 112 Ca 0.10 -0.47 -0.13 0.00 0.00 0.00 0.00 61.98 61.48 2dng s VAL 112 Cb -0.17 -2.55 0.02 0.00 0.00 0.00 0.00 36.38 33.67 2dng s VAL 112 CO -0.27 0.50 0.28 1.51 0.00 0.00 0.00 175.10 177.12 2dng s ASP 113 N 0.37 -0.09 -0.31 3.32 1.47 -0.87 -4.56 116.67 115.99 2dng s ASP 113 Ca -0.06 -0.22 -0.29 0.00 1.18 0.00 0.00 52.55 53.16 2dng s ASP 113 Cb -0.15 0.34 -0.01 0.00 -0.34 0.00 0.00 42.92 42.76 2dng s ASP 113 CO 0.04 -0.60 1.60 -0.63 0.68 0.00 0.00 175.17 176.26 2dng s ILE 114 N -2.51 3.71 -0.95 2.11 1.01 -1.26 -1.90 121.20 121.41 2dng s ILE 114 Ca -0.05 0.76 -0.25 0.00 0.00 0.00 0.00 60.65 61.11 2dng s ILE 114 Cb -0.01 -3.84 -0.20 0.00 0.01 0.00 0.00 42.46 38.41 2dng s ILE 114 CO -0.03 -0.46 2.13 0.00 0.00 0.00 0.00 174.94 176.58 2dng n ALA 115 N 9.06 0.26 -1.77 9.38 0.00 -1.26 -4.88 120.51 131.30 2dng n ALA 115 Ca 0.19 -1.92 -0.41 0.00 0.00 0.00 0.00 53.44 51.31 2dng n ALA 115 Cb 0.46 -3.15 0.01 0.00 0.00 0.00 0.00 19.45 16.77 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 8.43 3.91 0.00 0.00 2.56 -1.26 -4.99 118.70 127.35 2dng s GLU 116 Ca 0.81 2.53 0.00 0.00 0.00 0.00 0.00 54.97 58.31 2dng s GLU 116 Cb -0.09 -2.83 0.00 0.00 2.00 0.00 0.00 34.13 33.22 2dng s GLU 116 CO 0.16 -0.68 0.00 0.41 -0.56 0.00 0.00 175.26 174.59 2dng n GLY 117 N 0.50 2.18 3.48 -1.50 0.00 -1.26 -5.15 105.19 103.44 2dng n GLY 117 Ca 0.03 0.07 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.58 3.65 -0.14 1.61 3.52 -1.26 -5.02 118.95 120.73 2dng s ARG 118 Ca 0.00 -0.52 -0.09 0.00 -0.13 0.00 0.00 55.73 54.99 2dng s ARG 118 Cb 0.00 -3.00 -0.03 0.00 -1.56 0.00 0.00 34.95 30.36 2dng s ARG 118 CO 0.00 0.14 -0.17 1.63 -0.81 0.00 0.00 175.30 176.08 2dng n LYS 119 N 3.86 0.44 -3.61 5.12 5.02 -1.26 -4.94 118.16 122.79 2dng n LYS 119 Ca -0.17 0.53 -0.34 0.00 -2.02 0.00 0.00 58.31 56.30 2dng n LYS 119 Cb 0.52 -1.69 -0.05 0.00 -0.02 0.00 0.00 35.03 33.79 2dng n LYS 119 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 2dng s GLN 120 N -2.22 3.72 0.26 1.97 -2.07 -1.26 -5.10 119.66 114.97 2dng s GLN 120 Ca -0.14 0.12 0.07 0.00 -1.82 0.00 0.00 55.36 53.58 2dng s GLN 120 Cb 0.02 -2.99 -0.03 0.00 -1.09 0.00 0.00 33.01 28.91 2dng s GLN 120 CO 0.21 0.56 0.25 -0.51 -1.32 0.00 0.00 175.29 174.48 2dng s ASP 121 N -1.82 5.65 -0.29 12.60 1.11 -1.26 -5.13 116.67 127.54 2dng s ASP 121 Ca 0.33 -0.22 -0.25 0.00 0.18 0.00 0.00 52.55 52.59 2dng s ASP 121 Cb -0.14 -1.43 0.16 0.00 1.07 0.00 0.00 42.92 42.58 2dng s ASP 121 CO 0.18 -0.10 1.23 -0.75 1.18 0.00 0.00 175.17 176.92 2dng s LYS 122 N -3.90 0.29 1.15 8.23 2.20 -1.26 -5.17 119.74 121.27 2dng s LYS 122 Ca 0.34 0.33 -0.17 0.00 -0.36 0.00 0.00 55.97 56.12 2dng s LYS 122 Cb -0.08 0.14 0.26 0.00 -1.51 0.00 0.00 37.83 36.64 2dng s LYS 122 CO 0.26 -0.04 1.11 -1.12 -0.36 0.00 0.00 175.35 175.20 2dng s SER 123 N 0.11 1.38 0.31 1.43 0.01 -1.26 -5.07 113.70 110.60 2dng s SER 123 Ca 0.05 0.76 0.09 0.00 1.31 0.00 0.00 55.95 58.16 2dng s SER 123 Cb -0.05 -1.11 -0.05 0.00 0.21 0.00 0.00 66.02 65.02 2dng s SER 123 CO -0.11 -3.86 0.03 -0.83 0.41 0.00 0.00 173.24 168.88 2dng s GLY 124 N -3.80 1.88 1.14 3.44 0.00 -1.26 -5.14 107.32 103.58 2dng s GLY 124 Ca 0.70 -1.81 -0.18 0.00 0.00 0.00 0.00 44.72 43.42 2dng s GLY 124 CO 0.56 -1.80 1.16 2.56 0.00 0.00 0.00 173.10 175.58 2dng s PRO 125 N -3.72 -0.73 0.08 2.90 0.04 -1.26 -5.09 135.00 127.23 2dng s PRO 125 Ca 0.34 -0.12 0.08 0.00 0.04 0.00 0.00 61.00 61.34 2dng s PRO 125 Cb -0.03 -1.66 -0.03 0.00 0.04 0.00 0.00 34.50 32.82 2dng s PRO 125 CO 0.20 -3.37 -0.21 -1.54 0.04 0.00 0.00 177.00 172.11 2dng s SER 126 N -4.10 2.58 -0.02 6.66 1.04 -1.26 -5.15 113.70 113.44 2dng s SER 126 Ca 0.71 -0.63 0.06 0.00 0.48 0.00 0.00 55.95 56.57 2dng s SER 126 Cb -0.09 -0.17 -0.01 0.00 0.10 0.00 0.00 66.02 65.85 2dng s SER 126 CO 0.55 0.10 -0.19 -0.55 0.98 0.00 0.00 173.24 174.14 2dng s SER 127 N -1.66 2.28 0.00 7.02 0.15 -1.26 -5.38 113.70 114.85 2dng s SER 127 Ca 0.07 -0.36 0.00 0.00 0.70 0.00 0.00 55.95 56.37 2dng s SER 127 Cb -0.10 -0.35 0.00 0.00 -1.71 0.00 0.00 66.02 63.86 2dng s SER 127 CO 0.03 0.22 0.00 0.61 1.20 0.00 0.00 173.24 175.30