#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dng h SER 27 N 0.00 0.00 -2.20 1.61 0.87 -2.14 -3.45 113.55 108.24 2dng h SER 27 Ca 0.00 -0.05 -0.59 0.00 -1.23 0.00 0.00 61.79 59.92 2dng h SER 27 Cb 0.00 0.00 0.04 0.00 -0.44 0.00 0.00 62.40 62.00 2dng h SER 27 CO 0.00 0.60 0.97 -1.20 -0.53 0.00 0.00 176.83 176.67 2dng n SER 28 N -4.73 3.38 -4.74 6.23 7.64 -1.26 -4.97 113.62 115.17 2dng n SER 28 Ca -0.03 1.02 -0.30 0.00 1.01 0.00 0.00 58.87 60.57 2dng n SER 28 Cb 0.09 -1.42 -0.07 0.00 -1.01 0.00 0.00 64.21 61.80 2dng n SER 28 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dng s GLY 29 N 2.54 1.98 -0.11 0.23 0.00 -1.26 -5.11 107.32 105.59 2dng s GLY 29 Ca 0.85 -1.05 -0.10 0.00 0.00 0.00 0.00 44.72 44.43 2dng s GLY 29 CO 0.44 -1.02 0.21 -1.35 0.00 0.00 0.00 173.10 171.38 2dng s SER 30 N -2.32 6.45 -0.04 1.64 1.04 -1.26 -5.01 113.70 114.21 2dng s SER 30 Ca 0.28 0.54 -0.22 0.00 0.48 0.00 0.00 55.95 57.03 2dng s SER 30 Cb -0.12 -2.13 -0.30 0.00 0.10 0.00 0.00 66.02 63.57 2dng s SER 30 CO 0.20 0.31 0.93 0.77 0.98 0.00 0.00 173.24 176.43 2dng h SER 31 N 5.42 0.48 -1.94 7.02 4.64 -2.05 -3.50 113.55 123.62 2dng h SER 31 Ca -0.50 -0.92 0.00 0.00 -0.47 0.00 0.00 61.79 59.89 2dng h SER 31 Cb 1.21 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 2dng h SER 31 CO 0.64 1.37 0.00 0.61 -0.87 0.00 0.00 176.83 178.58 2dng n GLY 32 N 1.57 2.01 3.07 -0.77 0.00 -1.26 -5.12 105.19 104.69 2dng n GLY 32 Ca -0.13 -1.46 -0.40 0.00 0.00 0.00 0.00 46.02 44.03 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 -1.48 0.00 -2.93 1.61 4.76 -1.26 -4.90 118.16 113.95 2dng n LYS 33 Ca 0.00 0.00 -0.33 0.00 -2.87 0.00 0.00 58.31 55.11 2dng n LYS 33 Cb 0.00 -0.93 -0.06 0.00 -1.84 0.00 0.00 35.03 32.20 2dng n LYS 33 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 2dng s GLU 34 N -0.93 4.12 0.74 1.97 8.01 -1.26 -4.95 118.70 126.41 2dng s GLU 34 Ca 0.56 0.93 -0.14 0.00 0.01 0.00 0.00 54.97 56.32 2dng s GLU 34 Cb -0.64 -2.28 0.05 0.00 -4.31 0.00 0.00 34.13 26.95 2dng s GLU 34 CO 0.57 0.04 1.19 -0.51 0.01 0.00 0.00 175.26 176.55 2dng s LEU 35 N -3.14 3.26 0.62 1.80 1.43 -1.26 -4.99 118.68 116.41 2dng s LEU 35 Ca 0.59 2.28 -0.16 0.00 -1.03 0.00 0.00 54.13 55.80 2dng s LEU 35 Cb -0.10 -4.58 -0.02 0.00 0.03 0.00 0.00 46.19 41.53 2dng s LEU 35 CO 0.16 -2.28 1.11 -2.16 0.23 0.00 0.00 176.35 173.41 2dng s PRO 36 N -4.05 2.98 -0.01 1.29 0.04 -1.26 -4.97 135.00 129.01 2dng s PRO 36 Ca 0.72 1.45 0.20 0.00 0.04 0.00 0.00 61.00 63.42 2dng s PRO 36 Cb -0.27 -1.97 -0.27 0.00 0.04 0.00 0.00 34.50 32.03 2dng s PRO 36 CO 0.47 -1.12 0.66 0.25 0.04 0.00 0.00 177.00 177.30 2dng n THR 37 N -2.07 0.00 -3.51 1.26 -2.24 -1.26 -5.01 114.28 101.45 2dng n THR 37 Ca 0.11 -0.25 -0.11 0.00 -2.27 0.00 0.00 64.05 61.53 2dng n THR 37 Cb 0.52 0.52 -0.03 0.00 -2.10 0.00 0.00 70.33 69.23 2dng n THR 37 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2dng s GLU 38 N -3.17 0.90 1.05 -0.78 2.02 -1.26 -5.18 118.70 112.27 2dng s GLU 38 Ca 0.00 -0.15 -0.13 0.00 0.02 0.00 0.00 54.97 54.71 2dng s GLU 38 Cb 0.14 0.42 0.22 0.00 0.10 0.00 0.00 34.13 35.00 2dng s GLU 38 CO 0.85 -0.36 1.08 -1.25 0.02 0.00 0.00 175.26 175.60 2dng s PRO 39 N -2.51 0.04 0.83 0.39 0.04 -1.26 -4.70 135.00 127.83 2dng s PRO 39 Ca 0.00 0.58 -0.11 0.00 0.04 0.00 0.00 61.00 61.51 2dng s PRO 39 Cb -0.01 -1.69 0.09 0.00 0.04 0.00 0.00 34.50 32.93 2dng s PRO 39 CO -0.05 -3.01 1.09 -1.25 0.04 0.00 0.00 177.00 173.83 2dng s PRO 40 N -4.84 1.82 -0.46 0.56 0.04 -1.26 -5.13 135.00 125.73 2dng s PRO 40 Ca 0.66 1.02 -0.06 0.00 0.04 0.00 0.00 61.00 62.66 2dng s PRO 40 Cb -0.20 -1.86 0.12 0.00 0.04 0.00 0.00 34.50 32.60 2dng s PRO 40 CO 0.59 -1.91 0.30 0.71 0.04 0.00 0.00 177.00 176.73 2dng s TYR 41 N -2.92 3.51 -0.07 0.56 2.02 -1.26 -5.07 117.35 114.12 2dng s TYR 41 Ca 0.62 -2.18 0.02 0.00 -0.37 0.00 0.00 57.07 55.16 2dng s TYR 41 Cb -0.18 -3.36 -0.03 0.00 -0.40 0.00 0.00 41.96 37.99 2dng s TYR 41 CO 0.56 -0.98 -0.10 0.99 -1.57 0.00 0.00 175.55 174.46 2dng s THR 42 N 1.15 3.42 -0.01 -0.71 2.01 -1.26 -2.13 115.64 118.12 2dng s THR 42 Ca 0.08 -0.58 0.06 0.00 0.31 0.00 0.00 61.69 61.56 2dng s THR 42 Cb -0.24 -2.38 -0.02 0.00 0.01 0.00 0.00 72.50 69.87 2dng s THR 42 CO -0.03 0.59 -0.21 0.00 -0.69 0.00 0.00 174.62 174.29 2dng s ALA 43 N -0.67 1.71 -0.12 7.40 0.00 0.59 -3.56 121.76 127.11 2dng s ALA 43 Ca 0.10 -0.91 -0.19 0.00 0.00 0.00 0.00 51.96 50.96 2dng s ALA 43 Cb -0.11 -0.42 -0.04 0.00 0.00 0.00 0.00 23.12 22.55 2dng s ALA 43 CO 0.01 0.41 0.50 -0.47 0.00 0.00 0.00 175.76 176.22 2dng s TYR 44 N -0.53 3.50 -0.23 0.00 6.14 -0.54 -0.07 117.35 125.62 2dng s TYR 44 Ca 0.08 0.90 0.01 0.00 0.64 0.00 0.00 57.07 58.70 2dng s TYR 44 Cb -0.08 -2.59 0.06 0.00 0.42 0.00 0.00 41.96 39.77 2dng s TYR 44 CO -0.00 0.13 -0.06 0.08 0.64 0.00 0.00 175.55 176.33 2dng s VAL 45 N 0.77 1.51 0.14 3.14 1.01 0.40 -1.76 120.40 125.62 2dng s VAL 45 Ca 0.27 -1.15 0.01 0.00 0.00 0.00 0.00 61.98 61.10 2dng s VAL 45 Cb -0.15 -1.75 0.01 0.00 0.00 0.00 0.00 36.38 34.48 2dng s VAL 45 CO 0.11 -0.05 0.05 0.61 0.00 0.00 0.00 175.10 175.82 2dng n GLY 46 N 4.69 3.50 3.24 4.51 0.00 0.72 -1.66 105.19 120.19 2dng n GLY 46 Ca -0.12 -2.23 -0.16 0.00 0.00 0.00 0.00 46.02 43.51 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 -1.53 -2.05 -4.66 1.61 5.15 -1.26 -2.60 115.26 109.93 2dng n ASN 47 Ca -0.03 -0.57 -0.26 0.00 -0.60 0.00 0.00 54.58 53.12 2dng n ASN 47 Cb 0.16 -4.76 -0.08 0.00 -0.53 0.00 0.00 39.78 34.57 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 -6.02 3.28 0.81 1.20 1.43 -1.23 -4.48 118.68 113.66 2dng s LEU 48 Ca 0.00 -0.45 -0.15 0.00 -1.03 0.00 0.00 54.13 52.50 2dng s LEU 48 Cb -0.00 -1.91 -0.03 0.00 0.03 0.00 0.00 46.19 44.28 2dng s LEU 48 CO 0.67 0.07 0.35 -2.65 0.23 0.00 0.00 176.35 175.03 2dng n PRO 49 N -0.26 0.08 0.26 1.29 -0.02 -1.26 -4.86 135.00 130.22 2dng n PRO 49 Ca -0.09 0.07 0.10 0.00 -2.02 0.00 0.00 63.50 61.56 2dng n PRO 49 Cb 0.56 -1.74 0.68 0.00 -0.02 0.00 0.00 33.50 32.98 2dng n PRO 49 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 2dng h PHE 50 N -0.79 0.00 -2.39 6.00 -0.00 -1.97 -3.18 116.94 114.62 2dng h PHE 50 Ca -0.45 0.00 -0.67 0.00 -0.00 0.00 0.00 57.97 56.86 2dng h PHE 50 Cb 1.33 0.00 -0.37 0.00 -0.00 0.00 0.00 35.95 36.91 2dng h PHE 50 CO 0.34 0.11 -0.11 -1.71 -0.00 0.00 0.00 178.31 176.94 2dng n ASN 51 N -4.00 4.89 -4.55 -0.68 5.15 -1.26 -4.91 115.26 109.90 2dng n ASN 51 Ca -0.02 -3.51 -0.39 0.00 -0.60 0.00 0.00 54.58 50.06 2dng n ASN 51 Cb 0.20 -0.84 -0.11 0.00 -0.53 0.00 0.00 39.78 38.50 2dng n ASN 51 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2dng s THR 52 N -3.10 5.26 0.15 -0.44 2.01 -1.20 -5.08 115.64 113.25 2dng s THR 52 Ca 0.39 -0.07 0.06 0.00 0.31 0.00 0.00 61.69 62.39 2dng s THR 52 Cb 0.15 -3.62 -0.04 0.00 0.01 0.00 0.00 72.50 69.00 2dng s THR 52 CO -0.01 0.10 0.02 0.68 -0.69 0.00 0.00 174.62 174.72 2dng s VAL 53 N 1.73 3.93 0.06 3.82 -7.23 -1.26 -5.02 120.40 116.44 2dng s VAL 53 Ca 0.06 -1.26 -0.13 0.00 -1.81 0.00 0.00 61.98 58.85 2dng s VAL 53 Cb -0.17 -2.96 -0.03 0.00 0.56 0.00 0.00 36.38 33.79 2dng s VAL 53 CO 0.10 -0.06 0.96 1.67 -0.31 0.00 0.00 175.10 177.47 2dng n GLN 54 N -0.00 -0.18 -0.38 4.82 7.27 -1.26 -0.36 117.38 127.30 2dng n GLN 54 Ca -0.10 0.95 -0.07 0.00 0.07 0.00 0.00 57.00 57.85 2dng n GLN 54 Cb 0.54 -1.41 -0.05 0.00 2.41 0.00 0.00 30.24 31.74 2dng n GLN 54 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2dng n GLY 55 N -1.10 -2.23 0.20 1.69 0.00 -1.26 -1.25 105.19 101.23 2dng n GLY 55 Ca 0.01 1.08 -0.05 0.00 0.00 0.00 0.00 46.02 47.06 2dng n GLY 55 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2dng n ASP 56 N -5.23 -0.50 -0.11 1.61 2.03 0.52 0.09 116.55 114.95 2dng n ASP 56 Ca 0.05 1.16 -0.05 0.00 0.52 0.00 0.00 54.79 56.46 2dng n ASP 56 Cb 0.29 -0.27 0.01 0.00 -0.72 0.00 0.00 41.12 40.43 2dng n ASP 56 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 2dng h ILE 57 N 0.00 0.59 -1.09 5.18 1.08 -1.13 0.40 117.51 122.54 2dng h ILE 57 Ca 0.08 0.00 0.30 0.00 -0.39 0.00 0.00 64.86 64.84 2dng h ILE 57 Cb 0.19 0.59 -0.08 0.00 -3.07 0.00 0.00 36.82 34.45 2dng h ILE 57 CO -0.45 0.00 0.73 -0.78 -0.69 0.00 0.00 178.15 176.96 2dng h ASP 58 N -0.02 0.31 0.17 1.72 1.82 0.28 0.26 116.42 120.96 2dng h ASP 58 Ca 0.18 0.07 -0.28 0.00 -0.39 0.00 0.00 57.03 56.61 2dng h ASP 58 Cb 0.30 0.02 0.02 0.00 0.68 0.00 0.00 39.33 40.35 2dng h ASP 58 CO -0.40 0.04 -1.17 0.00 -1.61 0.00 0.00 179.24 176.10 2dng h ALA 59 N 1.57 0.08 -0.70 -0.78 0.00 0.69 -1.77 119.26 118.35 2dng h ALA 59 Ca 0.60 -0.76 0.06 0.00 0.00 0.00 0.00 54.91 54.81 2dng h ALA 59 Cb 1.77 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 19.58 2dng h ALA 59 CO -0.23 0.73 0.40 0.82 0.00 0.00 0.00 179.25 180.96 2dng h ILE 60 N 0.28 0.98 -0.60 0.00 2.04 0.52 -2.42 117.51 118.30 2dng h ILE 60 Ca -0.16 -0.25 -0.38 0.00 1.00 0.00 0.00 64.86 65.07 2dng h ILE 60 Cb 1.83 0.19 -0.23 0.00 -0.74 0.00 0.00 36.82 37.87 2dng h ILE 60 CO 0.22 0.13 -0.04 0.49 0.00 0.00 0.00 178.15 178.95 2dng n PHE 61 N -4.76 1.99 0.29 1.37 3.72 -0.72 -4.69 117.46 114.66 2dng n PHE 61 Ca 0.09 -2.03 0.18 0.00 -0.05 0.00 0.00 57.45 55.64 2dng n PHE 61 Cb 0.17 -0.66 0.98 0.00 -0.94 0.00 0.00 39.48 39.04 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 1.45 0.00 -0.18 -1.08 2.10 -0.79 -1.39 116.57 116.68 2dng h LYS 62 Ca 0.36 0.00 -0.17 0.00 -2.00 0.00 0.00 60.65 58.84 2dng h LYS 62 Cb 1.57 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.90 2dng h LYS 62 CO 0.74 0.00 -0.54 -0.44 -2.00 0.00 0.00 179.45 177.21 2dng h ASP 63 N 0.00 0.78 -3.29 7.07 5.19 -1.83 -3.46 116.42 120.88 2dng h ASP 63 Ca 0.02 -0.59 -0.46 0.00 -0.62 0.00 0.00 57.03 55.39 2dng h ASP 63 Cb 0.18 -0.23 0.12 0.00 0.18 0.00 0.00 39.33 39.58 2dng h ASP 63 CO -0.00 1.24 0.27 -0.76 -3.12 0.00 0.00 179.24 176.87 2dng s LEU 64 N -8.63 2.83 -0.31 1.55 1.43 -0.53 -5.05 118.68 109.97 2dng s LEU 64 Ca -0.12 0.08 -0.13 0.00 -1.03 0.00 0.00 54.13 52.93 2dng s LEU 64 Cb 0.08 -2.36 -0.03 0.00 0.03 0.00 0.00 46.19 43.90 2dng s LEU 64 CO 0.86 -2.17 0.27 -0.55 0.23 0.00 0.00 176.35 174.99 2dng s SER 65 N -4.75 6.10 -0.32 2.29 0.15 -1.26 -4.99 113.70 110.92 2dng s SER 65 Ca 0.68 -0.12 -0.10 0.00 0.70 0.00 0.00 55.95 57.10 2dng s SER 65 Cb -0.06 -2.16 -0.01 0.00 -1.71 0.00 0.00 66.02 62.09 2dng s SER 65 CO 0.48 -0.19 0.18 -0.63 1.20 0.00 0.00 173.24 174.28 2dng s ILE 66 N 1.86 4.76 -0.08 6.45 1.01 -1.26 -2.85 121.20 131.08 2dng s ILE 66 Ca 0.09 -0.41 -0.25 0.00 0.00 0.00 0.00 60.65 60.08 2dng s ILE 66 Cb -0.16 -3.45 -0.21 0.00 0.01 0.00 0.00 42.46 38.65 2dng s ILE 66 CO 0.11 0.02 0.93 -0.09 0.00 0.00 0.00 174.94 175.91 2dng h ARG 67 N 8.39 -0.05 -2.13 2.79 2.43 -0.04 -3.47 114.38 122.31 2dng h ARG 67 Ca -0.31 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 58.80 2dng h ARG 67 Cb 1.14 0.01 -0.21 0.00 -0.42 0.00 0.00 29.97 30.50 2dng h ARG 67 CO 0.62 0.61 0.09 -1.12 -1.51 0.00 0.00 179.97 178.66 2dng s SER 68 N -5.84 -0.66 -0.13 -3.80 0.01 -0.77 -5.01 113.70 97.50 2dng s SER 68 Ca -0.16 1.08 -0.01 0.00 1.31 0.00 0.00 55.95 58.17 2dng s SER 68 Cb -0.01 1.04 -0.02 0.00 0.21 0.00 0.00 66.02 67.25 2dng s SER 68 CO 0.61 -0.37 -0.10 -0.69 0.41 0.00 0.00 173.24 173.09 2dng s VAL 69 N -0.24 3.30 -0.29 3.43 1.01 -1.26 0.71 120.40 127.05 2dng s VAL 69 Ca -0.04 -0.58 0.02 0.00 0.00 0.00 0.00 61.98 61.38 2dng s VAL 69 Cb -0.03 -2.39 0.07 0.00 0.00 0.00 0.00 36.38 34.02 2dng s VAL 69 CO 0.04 0.53 -0.04 -0.60 0.00 0.00 0.00 175.10 175.02 2dng s ARG 70 N 0.20 2.13 -0.51 2.72 3.52 0.40 -4.99 118.95 122.41 2dng s ARG 70 Ca -0.06 -1.45 -0.23 0.00 -0.13 0.00 0.00 55.73 53.85 2dng s ARG 70 Cb -0.15 -3.04 0.04 0.00 -1.56 0.00 0.00 34.95 30.24 2dng s ARG 70 CO 0.04 -0.67 0.84 -0.51 -0.81 0.00 0.00 175.30 174.19 2dng s LEU 71 N 1.10 4.27 0.29 -0.88 1.43 -1.26 -0.45 118.68 123.17 2dng s LEU 71 Ca -0.04 -0.34 -0.30 0.00 -1.03 0.00 0.00 54.13 52.43 2dng s LEU 71 Cb -0.20 -2.83 -0.11 0.00 0.03 0.00 0.00 46.19 43.08 2dng s LEU 71 CO -0.05 -1.07 1.58 -0.69 0.23 0.00 0.00 176.35 176.36 2dng s VAL 72 N 3.54 2.12 0.34 -1.59 1.01 -1.17 -4.99 120.40 119.65 2dng s VAL 72 Ca 0.28 0.10 -0.02 0.00 0.00 0.00 0.00 61.98 62.34 2dng s VAL 72 Cb -0.13 -3.06 0.01 0.00 0.00 0.00 0.00 36.38 33.19 2dng s VAL 72 CO 0.20 0.02 0.47 -2.11 0.00 0.00 0.00 175.10 173.67 2dng n ARG 73 N 2.23 0.67 -1.71 2.72 1.85 -1.26 -2.79 116.66 118.36 2dng n ARG 73 Ca 0.08 -2.68 -0.27 0.00 -1.00 0.00 0.00 57.85 53.99 2dng n ARG 73 Cb 0.38 2.58 0.19 0.00 -1.05 0.00 0.00 32.46 34.55 2dng n ARG 73 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2dng n ASP 74 N -1.65 0.06 -0.07 2.89 8.00 -1.22 -4.85 116.55 119.72 2dng n ASP 74 Ca 0.01 -1.43 -0.06 0.00 0.71 0.00 0.00 54.79 54.02 2dng n ASP 74 Cb 0.56 -0.92 -0.02 0.00 -0.02 0.00 0.00 41.12 40.71 2dng n ASP 74 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 2dng h LYS 75 N 0.00 0.00 0.07 -1.24 1.57 -1.96 -3.19 116.57 111.83 2dng h LYS 75 Ca -0.39 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.39 2dng h LYS 75 Cb 1.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.38 2dng h LYS 75 CO 0.27 0.12 -0.03 -0.44 -0.57 0.00 0.00 179.45 178.80 2dng h ASP 76 N -1.00 -0.08 0.16 0.86 3.32 -2.03 -3.35 116.42 114.30 2dng h ASP 76 Ca -0.03 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.96 2dng h ASP 76 Cb 0.50 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.06 2dng h ASP 76 CO -0.02 0.19 -0.24 0.71 -1.72 0.00 0.00 179.24 178.16 2dng h THR 77 N -0.59 1.21 -6.74 0.35 1.35 -2.00 -3.46 112.91 103.02 2dng h THR 77 Ca -0.01 -0.97 -0.55 0.00 -0.55 0.00 0.00 66.41 64.33 2dng h THR 77 Cb 0.07 1.41 -0.15 0.00 -1.73 0.00 0.00 68.15 67.76 2dng h THR 77 CO 0.02 0.29 -0.89 -0.90 -0.25 0.00 0.00 175.52 173.78 2dng n ASP 78 N -4.21 -0.84 -4.75 5.36 5.75 -1.20 -4.86 116.55 111.80 2dng n ASP 78 Ca -0.01 -1.09 -0.34 0.00 -0.01 0.00 0.00 54.79 53.34 2dng n ASP 78 Cb 0.33 -2.55 -0.08 0.00 -1.03 0.00 0.00 41.12 37.79 2dng n ASP 78 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 2dng s LYS 79 N -6.88 3.05 -0.71 0.11 1.02 -1.26 -4.56 119.74 110.50 2dng s LYS 79 Ca 0.23 -0.44 -0.34 0.00 0.02 0.00 0.00 55.97 55.44 2dng s LYS 79 Cb -0.13 -2.85 -0.18 0.00 -0.52 0.00 0.00 37.83 34.15 2dng s LYS 79 CO 0.93 0.67 2.45 0.34 -0.92 0.00 0.00 175.35 178.83 2dng n PHE 80 N 1.55 0.98 -0.28 3.18 7.35 -1.26 -3.40 117.46 125.58 2dng n PHE 80 Ca -0.15 0.43 -0.04 0.00 -0.76 0.00 0.00 57.45 56.93 2dng n PHE 80 Cb 0.53 -2.41 0.12 0.00 0.35 0.00 0.00 39.48 38.07 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 12.31 1.15 0.00 -4.13 1.57 -1.86 -3.47 116.57 122.13 2dng h LYS 81 Ca -0.12 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 2dng h LYS 81 Cb 1.33 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 33.43 2dng h LYS 81 CO 1.23 0.87 0.00 0.41 -0.57 0.00 0.00 179.45 181.39 2dng n GLY 82 N -1.07 2.12 3.67 3.86 0.00 -1.26 -5.12 105.19 107.40 2dng n GLY 82 Ca 0.08 -0.21 -0.24 0.00 0.00 0.00 0.00 46.02 45.64 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 2.59 0.18 1.61 -0.71 -1.26 -3.53 117.98 116.86 2dng s PHE 83 Ca 0.00 -0.47 -0.21 0.00 -1.04 0.00 0.00 56.93 55.21 2dng s PHE 83 Cb 0.00 -1.63 0.05 0.00 -1.21 0.00 0.00 43.02 40.24 2dng s PHE 83 CO 0.00 0.39 0.58 0.00 -1.34 0.00 0.00 175.22 174.86 2dng s TYR 85 N -3.80 2.91 -0.12 0.00 1.51 0.40 -0.45 117.35 117.80 2dng s TYR 85 Ca 0.04 -0.70 -0.05 0.00 -1.01 0.00 0.00 57.07 55.35 2dng s TYR 85 Cb -0.01 -1.96 -0.04 0.00 -0.11 0.00 0.00 41.96 39.84 2dng s TYR 85 CO -0.08 -0.31 0.08 0.08 -1.11 0.00 0.00 175.55 174.21 2dng s VAL 86 N 0.77 5.03 -0.16 0.71 1.01 0.90 -0.45 120.40 128.20 2dng s VAL 86 Ca -0.03 0.03 -0.03 0.00 0.00 0.00 0.00 61.98 61.95 2dng s VAL 86 Cb -0.15 -3.18 -0.02 0.00 0.00 0.00 0.00 36.38 33.03 2dng s VAL 86 CO 0.02 0.59 -0.07 -0.70 0.00 0.00 0.00 175.10 174.94 2dng s GLU 87 N -0.79 3.51 0.43 2.72 2.12 0.22 -0.30 118.70 126.61 2dng s GLU 87 Ca 0.13 -0.60 0.08 0.00 0.36 0.00 0.00 54.97 54.94 2dng s GLU 87 Cb -0.12 -2.85 -0.01 0.00 0.26 0.00 0.00 34.13 31.40 2dng s GLU 87 CO 0.03 0.12 0.38 -0.06 -0.54 0.00 0.00 175.26 175.20 2dng s PHE 88 N 0.64 2.60 -0.15 5.30 0.40 -0.90 0.62 117.98 126.47 2dng s PHE 88 Ca -0.04 -0.53 -0.19 0.00 -0.60 0.00 0.00 56.93 55.57 2dng s PHE 88 Cb -0.15 -2.15 -0.16 0.00 0.51 0.00 0.00 43.02 41.07 2dng s PHE 88 CO 0.03 -0.16 0.35 0.22 0.70 0.00 0.00 175.22 176.35 2dng h ASP 89 N 1.00 0.00 -1.49 1.36 1.82 -1.84 -3.40 116.42 113.87 2dng h ASP 89 Ca -0.41 -0.55 -0.55 0.00 -0.39 0.00 0.00 57.03 55.13 2dng h ASP 89 Cb 1.27 0.00 -0.07 0.00 0.68 0.00 0.00 39.33 41.21 2dng h ASP 89 CO 0.57 1.02 -0.46 -1.61 -1.61 0.00 0.00 179.24 177.15 2dng s GLU 90 N -2.14 2.29 0.42 0.28 2.02 -1.26 -4.86 118.70 115.45 2dng s GLU 90 Ca -0.18 -1.80 0.23 0.00 0.02 0.00 0.00 54.97 53.24 2dng s GLU 90 Cb 0.01 -2.06 0.79 0.00 0.10 0.00 0.00 34.13 32.96 2dng s GLU 90 CO 0.47 -0.17 1.77 -0.24 0.02 0.00 0.00 175.26 177.11 2dng h VAL 91 N 1.30 0.55 0.06 2.63 3.04 -1.97 -3.31 116.25 118.56 2dng h VAL 91 Ca -0.42 -1.24 0.01 0.00 -1.01 0.00 0.00 66.70 64.04 2dng h VAL 91 Cb 1.26 1.86 -0.04 0.00 -2.01 0.00 0.00 31.29 32.36 2dng h VAL 91 CO 0.67 0.24 -0.41 -0.78 -1.01 0.00 0.00 177.57 176.27 2dng h ASP 92 N 0.00 -1.26 -0.60 3.17 3.58 -1.99 -0.05 116.42 119.27 2dng h ASP 92 Ca -0.00 0.13 0.06 0.00 0.42 0.00 0.00 57.03 57.64 2dng h ASP 92 Cb 0.84 0.47 -0.09 0.00 1.72 0.00 0.00 39.33 42.26 2dng h ASP 92 CO 0.03 -0.42 -0.54 0.28 -2.88 0.00 0.00 179.24 175.70 2dng h SER 93 N -0.57 -1.89 -0.62 2.28 0.02 -1.93 0.55 113.55 111.40 2dng h SER 93 Ca -0.00 0.26 0.13 0.00 -0.84 0.00 0.00 61.79 61.34 2dng h SER 93 Cb 0.58 0.80 -0.11 0.00 0.14 0.00 0.00 62.40 63.81 2dng h SER 93 CO -0.24 -0.32 -0.01 0.25 -1.14 0.00 0.00 176.83 175.37 2dng h LEU 94 N -0.24 -0.30 -1.03 5.07 5.85 -1.65 0.46 115.31 123.47 2dng h LEU 94 Ca 0.10 0.16 0.16 0.00 0.84 0.00 0.00 57.88 59.14 2dng h LEU 94 Cb 0.50 0.28 -0.10 0.00 0.37 0.00 0.00 40.66 41.71 2dng h LEU 94 CO -0.69 -0.12 0.62 0.50 -0.34 0.00 0.00 178.44 178.40 2dng h LYS 95 N 0.11 0.82 0.00 1.25 3.64 0.10 0.40 116.57 122.89 2dng h LYS 95 Ca 0.32 -0.05 -0.21 0.00 -1.27 0.00 0.00 60.65 59.45 2dng h LYS 95 Cb 0.52 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 32.13 2dng h LYS 95 CO -0.54 0.54 -0.99 1.49 -2.27 0.00 0.00 179.45 177.68 2dng h GLU 96 N 0.84 0.00 0.00 1.90 4.81 0.49 -3.22 114.58 119.40 2dng h GLU 96 Ca 0.54 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.75 2dng h GLU 96 Cb 0.75 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.13 2dng h GLU 96 CO -0.33 0.95 -0.12 0.00 -0.73 0.00 0.00 179.01 178.79 2dng h ALA 97 N 1.03 1.09 0.00 2.92 0.00 0.18 -2.44 119.26 122.04 2dng h ALA 97 Ca -0.02 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 2dng h ALA 97 Cb 1.75 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.51 2dng h ALA 97 CO 0.12 0.14 -0.25 -0.07 0.00 0.00 0.00 179.25 179.20 2dng h LEU 98 N 0.00 0.00 0.00 0.00 3.38 -1.19 -2.09 115.31 115.41 2dng h LEU 98 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2dng h LEU 98 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 2dng h LEU 98 CO 0.02 0.25 0.00 0.35 0.09 0.00 0.00 178.44 179.14 2dng n THR 99 N -3.63 0.14 1.45 0.22 -2.24 -0.92 -2.66 114.28 106.63 2dng n THR 99 Ca -0.01 0.03 0.14 0.00 -2.27 0.00 0.00 64.05 61.94 2dng n THR 99 Cb 0.38 -0.61 0.50 0.00 -2.10 0.00 0.00 70.33 68.49 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 -1.22 0.03 -0.76 4.78 4.02 -0.79 -4.40 117.16 118.82 2dng n TYR 100 Ca 0.14 -0.01 -0.08 0.00 -0.01 0.00 0.00 57.90 57.94 2dng n TYR 100 Cb 0.18 0.00 -0.11 0.00 -0.02 0.00 0.00 39.34 39.39 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 0.23 4.65 0.00 7.72 5.75 -1.09 -3.26 116.55 130.55 2dng n ASP 101 Ca 0.19 -2.33 0.00 0.00 -0.01 0.00 0.00 54.79 52.64 2dng n ASP 101 Cb 0.36 -1.18 0.00 0.00 -1.03 0.00 0.00 41.12 39.27 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 2.27 0.02 3.43 6.12 0.00 -1.19 -4.78 105.19 111.06 2dng n GLY 102 Ca 0.27 -0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.28 -2.45 -2.90 4.61 0.00 -1.20 -4.65 120.51 113.64 2dng n ALA 103 Ca 0.00 -0.59 -0.34 0.00 0.00 0.00 0.00 53.44 52.50 2dng n ALA 103 Cb 0.00 -1.82 -0.11 0.00 0.00 0.00 0.00 19.45 17.52 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 -1.38 3.55 -0.43 0.00 1.43 -1.26 -1.84 118.68 118.75 2dng s LEU 104 Ca 0.58 -0.04 -0.08 0.00 -1.03 0.00 0.00 54.13 53.56 2dng s LEU 104 Cb -0.22 -1.89 0.09 0.00 0.03 0.00 0.00 46.19 44.20 2dng s LEU 104 CO 0.67 0.14 0.27 -0.22 0.23 0.00 0.00 176.35 177.44 2dng s LEU 105 N 0.54 5.29 0.00 1.79 2.96 0.20 -4.94 118.68 124.52 2dng s LEU 105 Ca 0.01 -1.66 0.00 0.00 -0.22 0.00 0.00 54.13 52.26 2dng s LEU 105 Cb -0.13 -1.98 0.00 0.00 0.50 0.00 0.00 46.19 44.58 2dng s LEU 105 CO 0.02 -0.58 0.00 0.61 -1.32 0.00 0.00 176.35 175.08 2dng n GLY 106 N 4.88 3.80 1.85 7.98 0.00 -1.26 -1.17 105.19 121.28 2dng n GLY 106 Ca -0.09 0.14 0.03 0.00 0.00 0.00 0.00 46.02 46.10 2dng n GLY 106 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2dng n ASP 107 N 9.42 5.23 -2.86 1.61 5.75 -1.26 -4.94 116.55 129.50 2dng n ASP 107 Ca 0.00 -2.95 -0.14 0.00 -0.01 0.00 0.00 54.79 51.69 2dng n ASP 107 Cb 0.00 -0.69 -0.04 0.00 -1.03 0.00 0.00 41.12 39.36 2dng n ASP 107 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 2dng n ARG 108 N 0.38 0.60 -3.91 0.11 1.85 -0.31 -5.18 116.66 110.19 2dng n ARG 108 Ca 0.30 -2.64 -0.25 0.00 -1.00 0.00 0.00 57.85 54.26 2dng n ARG 108 Cb 1.20 2.47 -0.03 0.00 -1.05 0.00 0.00 32.46 35.05 2dng n ARG 108 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 2dng s SER 109 N -3.00 4.64 0.00 2.89 0.01 -1.26 0.61 113.70 117.59 2dng s SER 109 Ca 0.28 -1.13 0.08 0.00 1.31 0.00 0.00 55.95 56.49 2dng s SER 109 Cb -0.00 0.03 -0.02 0.00 0.21 0.00 0.00 66.02 66.23 2dng s SER 109 CO 0.20 -0.88 -0.25 -0.76 0.41 0.00 0.00 173.24 171.96 2dng s LEU 110 N -4.15 2.09 -0.29 2.44 1.43 -0.77 -4.55 118.68 114.89 2dng s LEU 110 Ca 0.37 -0.49 0.01 0.00 -1.03 0.00 0.00 54.13 52.98 2dng s LEU 110 Cb -0.01 -1.25 0.09 0.00 0.03 0.00 0.00 46.19 45.04 2dng s LEU 110 CO 0.22 0.28 0.04 -0.60 0.23 0.00 0.00 176.35 176.52 2dng s ARG 111 N -0.81 1.13 -0.09 1.70 6.06 -1.07 -3.20 118.95 122.66 2dng s ARG 111 Ca 0.10 -1.19 0.03 0.00 -2.50 0.00 0.00 55.73 52.18 2dng s ARG 111 Cb -0.10 -2.44 -0.01 0.00 0.06 0.00 0.00 34.95 32.46 2dng s ARG 111 CO 0.00 -0.84 -0.18 0.08 -2.50 0.00 0.00 175.30 171.85 2dng s VAL 112 N 1.41 2.63 0.15 7.11 1.01 -1.26 -0.20 120.40 131.25 2dng s VAL 112 Ca 0.05 -0.84 -0.12 0.00 0.00 0.00 0.00 61.98 61.07 2dng s VAL 112 Cb -0.18 -2.03 0.01 0.00 0.00 0.00 0.00 36.38 34.17 2dng s VAL 112 CO -0.15 0.56 0.34 -0.62 0.00 0.00 0.00 175.10 175.23 2dng s ASP 113 N -0.05 -0.06 0.29 3.32 2.15 -0.72 -4.42 116.67 117.20 2dng s ASP 113 Ca -0.05 -0.67 -0.29 0.00 0.43 0.00 0.00 52.55 51.97 2dng s ASP 113 Cb -0.14 0.46 -0.10 0.00 -0.30 0.00 0.00 42.92 42.84 2dng s ASP 113 CO 0.04 -0.90 1.13 -0.63 -0.17 0.00 0.00 175.17 174.64 2dng s ILE 114 N -3.91 3.37 -0.53 4.11 1.01 -1.26 -1.46 121.20 122.53 2dng s ILE 114 Ca 0.11 1.37 -0.16 0.00 0.00 0.00 0.00 60.65 61.97 2dng s ILE 114 Cb 0.02 -3.86 0.11 0.00 0.01 0.00 0.00 42.46 38.74 2dng s ILE 114 CO -0.04 0.32 0.51 0.00 0.00 0.00 0.00 174.94 175.73 2dng s ALA 115 N -1.18 3.59 -0.74 9.38 0.00 -1.23 -4.77 121.76 126.80 2dng s ALA 115 Ca 0.46 -2.38 0.03 0.00 0.00 0.00 0.00 51.96 50.07 2dng s ALA 115 Cb -0.33 -3.27 0.18 0.00 0.00 0.00 0.00 23.12 19.70 2dng s ALA 115 CO 0.42 -2.00 0.55 -2.00 0.00 0.00 0.00 175.76 172.73 2dng s GLU 116 N 1.80 2.64 -0.34 0.00 2.12 -1.26 -4.87 118.70 118.79 2dng s GLU 116 Ca 0.05 -3.30 0.02 0.00 0.36 0.00 0.00 54.97 52.10 2dng s GLU 116 Cb -0.28 -3.55 0.10 0.00 0.26 0.00 0.00 34.13 30.67 2dng s GLU 116 CO 0.05 -1.27 0.10 0.20 -0.54 0.00 0.00 175.26 173.79 2dng s GLY 117 N -1.08 1.57 0.65 -1.50 0.00 -1.26 -5.11 107.32 100.59 2dng s GLY 117 Ca 0.25 -2.21 -0.17 0.00 0.00 0.00 0.00 44.72 42.59 2dng s GLY 117 CO -0.15 1.28 1.22 -1.60 0.00 0.00 0.00 173.10 173.86 2dng s ARG 118 N 1.10 2.60 -0.04 2.90 6.06 -1.26 -5.03 118.95 125.28 2dng s ARG 118 Ca 0.11 1.84 0.06 0.00 -2.50 0.00 0.00 55.73 55.24 2dng s ARG 118 Cb -0.19 -1.88 -0.01 0.00 0.06 0.00 0.00 34.95 32.93 2dng s ARG 118 CO -0.14 -1.50 -0.21 0.15 -2.50 0.00 0.00 175.30 171.10 2dng s LYS 119 N -3.57 2.02 0.25 5.12 -0.14 -1.26 -5.14 119.74 117.02 2dng s LYS 119 Ca 0.77 -0.76 0.06 0.00 -1.36 0.00 0.00 55.97 54.69 2dng s LYS 119 Cb -0.31 -1.79 -0.05 0.00 -1.68 0.00 0.00 37.83 33.99 2dng s LYS 119 CO 0.39 0.36 -0.07 1.14 -0.76 0.00 0.00 175.35 176.40 2dng s GLN 120 N -0.20 1.43 -0.09 1.68 1.03 -1.26 -5.16 119.66 117.09 2dng s GLN 120 Ca 0.00 -1.70 -0.19 0.00 0.04 0.00 0.00 55.36 53.51 2dng s GLN 120 Cb -0.11 -1.03 0.04 0.00 0.03 0.00 0.00 33.01 31.94 2dng s GLN 120 CO 0.02 0.05 0.46 0.34 -2.54 0.00 0.00 175.29 173.62 2dng s ASP 121 N -3.37 -0.42 0.09 12.60 2.15 -1.26 -5.17 116.67 121.29 2dng s ASP 121 Ca 0.27 0.57 0.08 0.00 0.43 0.00 0.00 52.55 53.90 2dng s ASP 121 Cb 0.03 0.62 -0.03 0.00 -0.30 0.00 0.00 42.92 43.24 2dng s ASP 121 CO 0.09 -0.37 -0.20 -0.54 -0.17 0.00 0.00 175.17 173.98 2dng s LYS 122 N -0.68 1.10 -0.18 4.34 1.02 -1.26 -5.13 119.74 118.95 2dng s LYS 122 Ca -0.08 -1.12 0.01 0.00 0.02 0.00 0.00 55.97 54.80 2dng s LYS 122 Cb -0.03 -1.32 0.02 0.00 -0.52 0.00 0.00 37.83 35.98 2dng s LYS 122 CO 0.04 0.31 -0.20 0.45 -0.92 0.00 0.00 175.35 175.03 2dng s SER 123 N -1.84 3.11 0.00 2.83 0.15 -1.26 -5.02 113.70 111.68 2dng s SER 123 Ca 0.05 -0.64 0.00 0.00 0.70 0.00 0.00 55.95 56.06 2dng s SER 123 Cb -0.10 -1.47 0.00 0.00 -1.71 0.00 0.00 66.02 62.74 2dng s SER 123 CO 0.04 0.00 0.00 0.61 1.20 0.00 0.00 173.24 175.09 2dng n GLY 124 N 4.60 1.19 3.70 9.45 0.00 -1.26 -5.13 105.19 117.73 2dng n GLY 124 Ca -0.21 0.25 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 2dng n GLY 124 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dng s PRO 125 N -0.02 4.35 -0.98 1.61 0.04 -1.26 -4.93 135.00 133.81 2dng s PRO 125 Ca 0.00 1.82 -0.24 0.00 0.04 0.00 0.00 61.00 62.62 2dng s PRO 125 Cb 0.00 -3.48 -0.06 0.00 0.04 0.00 0.00 34.50 31.00 2dng s PRO 125 CO 0.00 -0.43 1.95 0.45 0.04 0.00 0.00 177.00 179.01 2dng s SER 126 N 1.46 5.08 0.41 6.66 0.15 -1.26 -4.89 113.70 121.31 2dng s SER 126 Ca 0.60 -0.95 0.03 0.00 0.70 0.00 0.00 55.95 56.33 2dng s SER 126 Cb -0.29 -2.57 -0.04 0.00 -1.71 0.00 0.00 66.02 61.42 2dng s SER 126 CO 0.26 -2.87 0.07 -0.44 1.20 0.00 0.00 173.24 171.46 2dng s SER 127 N 7.64 3.10 0.00 5.45 0.01 -1.26 -5.37 113.70 123.27 2dng s SER 127 Ca 0.70 -1.56 0.00 0.00 1.31 0.00 0.00 55.95 56.40 2dng s SER 127 Cb -0.05 0.27 0.00 0.00 0.21 0.00 0.00 66.02 66.45 2dng s SER 127 CO 0.03 -0.78 0.00 0.61 0.41 0.00 0.00 173.24 173.51