#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jrd s ASP 9 N 0.00 0.80 0.07 -3.46 2.15 -1.26 -5.09 116.67 109.89 3jrd s ASP 9 Ca 0.00 0.12 0.20 0.00 0.43 0.00 0.00 52.55 53.29 3jrd s ASP 9 Cb 0.00 -0.05 -0.13 0.00 -0.30 0.00 0.00 42.92 42.44 3jrd s ASP 9 CO 0.00 -0.22 0.78 1.33 -0.17 0.00 0.00 175.17 176.89 3jrd n VAL 10 N 5.02 0.82 -3.59 1.11 0.24 -1.26 -4.75 118.33 115.93 3jrd n VAL 10 Ca -0.10 -0.63 -0.41 0.00 -2.04 0.00 0.00 64.34 61.17 3jrd n VAL 10 Cb 0.50 -0.46 -0.10 0.00 -1.47 0.00 0.00 33.84 32.31 3jrd n VAL 10 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3jrd s LEU 11 N -5.41 5.01 0.05 1.34 1.43 -1.26 -5.04 118.68 114.80 3jrd s LEU 11 Ca -0.04 -1.29 -0.16 0.00 -1.03 0.00 0.00 54.13 51.62 3jrd s LEU 11 Cb 0.10 -2.01 0.03 0.00 0.03 0.00 0.00 46.19 44.33 3jrd s LEU 11 CO 0.82 -0.49 0.35 0.42 0.23 0.00 0.00 176.35 177.69 3jrd s THR 12 N 1.49 0.07 0.10 5.49 -4.23 -1.26 -2.21 115.64 115.10 3jrd s THR 12 Ca 0.02 -0.59 0.04 0.00 -1.18 0.00 0.00 61.69 59.98 3jrd s THR 12 Cb -0.22 -0.98 -0.04 0.00 1.34 0.00 0.00 72.50 72.61 3jrd s THR 12 CO 0.04 -0.33 -0.11 0.68 -0.54 0.00 0.00 174.62 174.36 3jrd s VAL 13 N -2.67 1.03 0.09 2.29 -7.23 -0.35 -4.86 120.40 108.70 3jrd s VAL 13 Ca -0.04 -1.66 -0.26 0.00 -1.81 0.00 0.00 61.98 58.21 3jrd s VAL 13 Cb -0.00 -1.40 -0.06 0.00 0.56 0.00 0.00 36.38 35.47 3jrd s VAL 13 CO -0.04 -0.53 0.81 -0.44 -0.31 0.00 0.00 175.10 174.59 3jrd s SER 14 N -2.45 7.31 0.03 4.85 0.01 -1.26 -1.87 113.70 120.31 3jrd s SER 14 Ca 0.06 1.57 0.04 0.00 1.31 0.00 0.00 55.95 58.93 3jrd s SER 14 Cb -0.03 -2.50 -0.02 0.00 0.21 0.00 0.00 66.02 63.68 3jrd s SER 14 CO 0.01 0.05 -0.13 0.42 0.41 0.00 0.00 173.24 174.00 3jrd s THR 15 N -0.31 0.99 -0.03 1.44 -4.23 0.90 -4.92 115.64 109.47 3jrd s THR 15 Ca 0.39 -0.85 0.04 0.00 -1.18 0.00 0.00 61.69 60.09 3jrd s THR 15 Cb -0.22 -0.89 -0.03 0.00 1.34 0.00 0.00 72.50 72.71 3jrd s THR 15 CO 0.25 0.04 -0.13 0.68 -0.54 0.00 0.00 174.62 174.91 3jrd s VAL 16 N -0.73 3.13 0.38 2.29 -7.23 -1.26 0.34 120.40 117.32 3jrd s VAL 16 Ca 0.01 -0.78 0.07 0.00 -1.81 0.00 0.00 61.98 59.47 3jrd s VAL 16 Cb -0.07 -2.26 -0.01 0.00 0.56 0.00 0.00 36.38 34.60 3jrd s VAL 16 CO 0.01 0.53 0.40 0.54 -0.31 0.00 0.00 175.10 176.27 3jrd s ASN 17 N -0.92 5.40 0.56 4.85 2.20 -0.91 -4.95 114.94 121.17 3jrd s ASN 17 Ca 0.13 -0.51 0.29 0.00 -0.94 0.00 0.00 52.86 51.83 3jrd s ASN 17 Cb -0.11 -0.82 1.46 0.00 -2.00 0.00 0.00 41.25 39.78 3jrd s ASN 17 CO 0.02 -0.54 1.91 0.77 -2.94 0.00 0.00 177.10 176.32 3jrd h SER 18 N 1.00 0.00 0.00 3.54 4.64 -2.01 0.73 113.55 121.45 3jrd h SER 18 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 3jrd h SER 18 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 3jrd h SER 18 CO 0.54 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.50 3jrd n GLN 19 N -4.05 0.96 -3.23 4.77 6.02 -1.26 -4.87 117.38 115.72 3jrd n GLN 19 Ca 0.13 0.00 -0.23 0.00 -0.01 0.00 0.00 57.00 56.89 3jrd n GLN 19 Cb 0.78 -1.37 0.02 0.00 1.02 0.00 0.00 30.24 30.69 3jrd n GLN 19 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 3jrd n ASP 20 N -0.10 -4.88 -4.70 1.08 8.00 0.25 -4.96 116.55 111.25 3jrd n ASP 20 Ca 0.00 -0.36 -0.36 0.00 0.71 0.00 0.00 54.79 54.78 3jrd n ASP 20 Cb 0.18 -3.97 -0.08 0.00 -0.02 0.00 0.00 41.12 37.22 3jrd n ASP 20 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3jrd s GLN 21 N -5.90 4.15 0.41 -1.24 -0.21 -1.23 -4.91 119.66 110.73 3jrd s GLN 21 Ca 0.37 -0.19 -0.14 0.00 0.02 0.00 0.00 55.36 55.42 3jrd s GLN 21 Cb -0.18 -3.48 -0.08 0.00 1.00 0.00 0.00 33.01 30.28 3jrd s GLN 21 CO 0.45 0.18 0.82 0.08 -2.12 0.00 0.00 175.29 174.70 3jrd s VAL 22 N 0.71 4.68 -0.19 1.09 1.01 -1.26 -2.15 120.40 124.29 3jrd s VAL 22 Ca 0.09 0.88 -0.28 0.00 0.00 0.00 0.00 61.98 62.67 3jrd s VAL 22 Cb -0.12 -3.69 0.11 0.00 0.00 0.00 0.00 36.38 32.68 3jrd s VAL 22 CO 0.02 -0.47 0.94 0.28 0.00 0.00 0.00 175.10 175.87 3jrd s THR 23 N -2.32 0.00 0.18 3.92 -1.32 0.15 -4.93 115.64 111.32 3jrd s THR 23 Ca 0.54 0.00 -0.15 0.00 -1.21 0.00 0.00 61.69 60.87 3jrd s THR 23 Cb -0.10 -1.00 -0.07 0.00 -1.51 0.00 0.00 72.50 69.82 3jrd s THR 23 CO 0.27 0.00 0.59 -1.10 -2.21 0.00 0.00 174.62 172.17 3jrd s GLN 24 N -0.53 4.01 -0.18 7.08 -1.52 -1.26 -0.07 119.66 127.19 3jrd s GLN 24 Ca -0.01 0.55 -0.09 0.00 -1.95 0.00 0.00 55.36 53.85 3jrd s GLN 24 Cb -0.02 -2.86 0.07 0.00 -0.22 0.00 0.00 33.01 29.97 3jrd s GLN 24 CO 0.00 0.43 0.44 0.21 -0.25 0.00 0.00 175.29 176.11 3jrd s LYS 25 N -2.12 0.41 0.71 2.91 2.20 -0.78 -4.94 119.74 118.13 3jrd s LYS 25 Ca 0.41 0.87 -0.16 0.00 -0.36 0.00 0.00 55.97 56.72 3jrd s LYS 25 Cb -0.15 0.05 -0.04 0.00 -1.51 0.00 0.00 37.83 36.19 3jrd s LYS 25 CO 0.20 -0.17 0.56 -2.30 -0.36 0.00 0.00 175.35 173.27 3jrd n PRO 26 N 4.46 0.33 0.13 4.03 -0.02 -1.26 -1.20 135.00 141.46 3jrd n PRO 26 Ca -0.21 0.15 -0.02 0.00 -2.02 0.00 0.00 63.50 61.41 3jrd n PRO 26 Cb 0.54 -1.84 0.19 0.00 -0.02 0.00 0.00 33.50 32.37 3jrd n PRO 26 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3jrd h LEU 27 N -0.32 0.08 -2.05 2.45 5.85 -1.77 -2.80 115.31 116.74 3jrd h LEU 27 Ca -0.46 -0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.27 3jrd h LEU 27 Cb 1.35 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.35 3jrd h LEU 27 CO 0.43 0.63 0.13 0.08 -0.34 0.00 0.00 178.44 179.37 3jrd h ARG 28 N 0.05 0.00 -0.03 1.25 0.11 -1.89 -1.18 114.38 112.69 3jrd h ARG 28 Ca -0.00 0.00 -0.17 0.00 0.10 0.00 0.00 59.98 59.90 3jrd h ARG 28 Cb 1.01 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.08 3jrd h ARG 28 CO 0.08 0.00 -0.75 -0.44 0.10 0.00 0.00 179.97 178.96 3jrd h ASP 29 N 0.00 0.27 0.44 0.08 3.45 -1.84 -2.22 116.42 116.60 3jrd h ASP 29 Ca 0.08 -0.18 -0.10 0.00 0.43 0.00 0.00 57.03 57.25 3jrd h ASP 29 Cb 0.34 -0.08 -0.01 0.00 -0.56 0.00 0.00 39.33 39.01 3jrd h ASP 29 CO -0.00 0.92 -0.47 0.28 -1.57 0.00 0.00 179.24 178.40 3jrd h SER 30 N 0.14 0.04 0.02 6.45 0.02 -1.31 -2.50 113.55 116.41 3jrd h SER 30 Ca -0.03 -0.02 -0.26 0.00 -0.84 0.00 0.00 61.79 60.65 3jrd h SER 30 Cb 1.31 -0.01 0.02 0.00 0.14 0.00 0.00 62.40 63.87 3jrd h SER 30 CO 0.11 0.51 -1.03 0.58 -1.14 0.00 0.00 176.83 175.86 3jrd h VAL 31 N 0.03 1.29 -0.74 2.27 2.07 -1.14 -1.25 116.25 118.78 3jrd h VAL 31 Ca -0.00 -2.26 0.11 0.00 0.82 0.00 0.00 66.70 65.37 3jrd h VAL 31 Cb 0.85 2.44 -0.05 0.00 -1.52 0.00 0.00 31.29 33.01 3jrd h VAL 31 CO 0.06 0.69 0.49 0.11 0.02 0.00 0.00 177.57 178.95 3jrd h LYS 32 N 0.33 0.56 0.03 1.57 1.57 -1.35 -1.62 116.57 117.67 3jrd h LYS 32 Ca -0.13 -0.03 -0.18 0.00 -1.87 0.00 0.00 60.65 58.43 3jrd h LYS 32 Cb 1.69 -0.13 0.02 0.00 0.08 0.00 0.00 32.23 33.89 3jrd h LYS 32 CO 0.20 0.37 -0.73 0.37 -0.57 0.00 0.00 179.45 179.09 3jrd h GLN 33 N 0.58 0.44 -0.93 3.15 4.15 -1.22 -1.25 115.11 120.03 3jrd h GLN 33 Ca 0.35 -0.52 0.11 0.00 0.77 0.00 0.00 58.65 59.37 3jrd h GLN 33 Cb 0.57 0.16 -0.08 0.00 0.21 0.00 0.00 27.48 28.34 3jrd h GLN 33 CO -0.13 1.17 0.57 0.00 -1.93 0.00 0.00 178.83 178.51 3jrd h ALA 34 N 0.28 1.38 0.00 3.38 0.00 -0.29 -1.12 119.26 122.90 3jrd h ALA 34 Ca -0.10 0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 3jrd h ALA 34 Cb 1.46 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 3jrd h ALA 34 CO 0.14 0.17 -0.78 -0.07 0.00 0.00 0.00 179.25 178.70 3jrd h LEU 35 N 0.90 0.00 -1.29 0.00 3.38 -1.49 -0.84 115.31 115.97 3jrd h LEU 35 Ca 0.46 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.38 3jrd h LEU 35 Cb 0.45 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 3jrd h LEU 35 CO -0.27 0.48 -0.12 0.11 0.09 0.00 0.00 178.44 178.73 3jrd h LYS 36 N 0.00 0.33 0.14 1.13 1.57 -0.07 -2.61 116.57 117.07 3jrd h LYS 36 Ca -0.05 -0.08 -0.31 0.00 -1.87 0.00 0.00 60.65 58.34 3jrd h LYS 36 Cb 1.41 -0.04 0.03 0.00 0.08 0.00 0.00 32.23 33.71 3jrd h LYS 36 CO 0.05 0.46 -1.28 -0.97 -0.57 0.00 0.00 179.45 177.14 3jrd h ASN 37 N 0.32 0.88 -0.05 0.86 -1.24 -1.21 -2.26 115.58 112.87 3jrd h ASN 37 Ca 0.06 -0.84 0.03 0.00 0.71 0.00 0.00 56.30 56.26 3jrd h ASN 37 Cb 0.41 -0.28 -0.03 0.00 0.73 0.00 0.00 38.32 39.15 3jrd h ASN 37 CO 0.02 1.63 -0.11 0.22 -1.29 0.00 0.00 177.43 177.91 3jrd h TYR 38 N 0.25 -0.27 -0.21 0.67 3.20 -0.87 -2.33 116.97 117.41 3jrd h TYR 38 Ca -0.20 0.01 -0.17 0.00 3.14 0.00 0.00 58.73 61.51 3jrd h TYR 38 Cb 1.96 0.13 -0.00 0.00 1.54 0.00 0.00 36.73 40.36 3jrd h TYR 38 CO 0.12 -0.17 -0.56 0.74 -1.64 0.00 0.00 178.16 176.66 3jrd h PHE 39 N -0.16 0.79 -0.48 -3.82 0.05 -1.54 -2.52 116.94 109.27 3jrd h PHE 39 Ca 0.06 -0.28 0.08 0.00 3.82 0.00 0.00 57.97 61.65 3jrd h PHE 39 Cb 0.24 -0.15 -0.07 0.00 2.00 0.00 0.00 35.95 37.97 3jrd h PHE 39 CO -0.20 1.04 0.06 0.00 -0.18 0.00 0.00 178.31 179.04 3jrd h ALA 40 N 0.90 0.50 0.00 2.45 0.00 -1.15 -2.93 119.26 119.02 3jrd h ALA 40 Ca 0.01 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3jrd h ALA 40 Cb 1.12 0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3jrd h ALA 40 CO 0.11 -0.34 -0.22 1.96 0.00 0.00 0.00 179.25 180.76 3jrd h GLN 41 N 0.19 0.00 -7.32 0.00 1.08 -1.06 -3.42 115.11 104.57 3jrd h GLN 41 Ca 0.24 0.00 -0.46 0.00 -1.45 0.00 0.00 58.65 56.98 3jrd h GLN 41 Cb 0.33 0.00 0.17 0.00 -0.05 0.00 0.00 27.48 27.93 3jrd h GLN 41 CO -0.34 0.00 0.18 -0.51 -0.95 0.00 0.00 178.83 177.20 3jrd s LEU 42 N -4.94 1.61 -0.40 1.46 1.43 -0.98 -5.02 118.68 111.83 3jrd s LEU 42 Ca 0.08 1.30 0.06 0.00 -1.03 0.00 0.00 54.13 54.54 3jrd s LEU 42 Cb 0.11 -3.49 0.21 0.00 0.03 0.00 0.00 46.19 43.04 3jrd s LEU 42 CO 0.66 -3.22 0.42 0.59 0.23 0.00 0.00 176.35 175.03 3jrd n ASN 43 N -4.24 -0.19 -1.16 2.29 5.03 -1.26 -4.92 115.26 110.81 3jrd n ASN 43 Ca 0.05 -2.51 -0.15 0.00 0.87 0.00 0.00 54.58 52.84 3jrd n ASN 43 Cb 0.56 -0.59 -0.06 0.00 -1.02 0.00 0.00 39.78 38.67 3jrd n ASN 43 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3jrd n GLY 44 N 2.20 1.47 3.72 7.41 0.00 -1.26 -4.96 105.19 113.77 3jrd n GLY 44 Ca 0.26 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 3jrd n GLY 44 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3jrd s GLN 45 N -3.25 4.51 0.45 1.61 -0.21 -1.26 -4.94 119.66 116.56 3jrd s GLN 45 Ca 0.00 1.65 -0.25 0.00 0.02 0.00 0.00 55.36 56.79 3jrd s GLN 45 Cb 0.00 -3.36 -0.09 0.00 1.00 0.00 0.00 33.01 30.56 3jrd s GLN 45 CO 0.00 -0.12 1.29 -0.40 -2.12 0.00 0.00 175.29 173.94 3jrd n ASP 46 N 3.57 2.60 -4.93 5.90 5.75 -1.26 -5.00 116.55 123.19 3jrd n ASP 46 Ca 0.07 1.08 -0.25 0.00 -0.01 0.00 0.00 54.79 55.68 3jrd n ASP 46 Cb 0.48 -1.52 -0.02 0.00 -1.03 0.00 0.00 41.12 39.03 3jrd n ASP 46 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3jrd s VAL 47 N -1.22 5.09 0.08 2.12 1.01 -1.26 -5.07 120.40 121.14 3jrd s VAL 47 Ca 0.63 -0.30 0.00 0.00 0.00 0.00 0.00 61.98 62.31 3jrd s VAL 47 Cb -0.49 -3.82 0.00 0.00 0.00 0.00 0.00 36.38 32.08 3jrd s VAL 47 CO 0.57 -0.48 0.00 0.59 0.00 0.00 0.00 175.10 175.78 3jrd n ASN 48 N -1.49 0.17 -2.50 3.32 3.02 -1.26 -4.97 115.26 111.56 3jrd n ASN 48 Ca -0.04 0.12 -0.27 0.00 -0.03 0.00 0.00 54.58 54.37 3jrd n ASN 48 Cb 0.55 0.02 -0.00 0.00 -0.61 0.00 0.00 39.78 39.74 3jrd n ASN 48 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3jrd n ASP 49 N -3.03 4.62 0.26 6.41 8.00 -1.26 -4.83 116.55 126.72 3jrd n ASP 49 Ca 0.00 -3.69 0.15 0.00 0.71 0.00 0.00 54.79 51.95 3jrd n ASP 49 Cb 0.15 -0.46 0.57 0.00 -0.02 0.00 0.00 41.12 41.36 3jrd n ASP 49 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3jrd h LEU 50 N 2.60 0.00 -0.08 0.64 5.85 -1.98 -0.34 115.31 122.00 3jrd h LEU 50 Ca 0.29 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.90 3jrd h LEU 50 Cb 0.92 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.95 3jrd h LEU 50 CO 0.84 0.07 -0.37 0.22 -0.34 0.00 0.00 178.44 178.85 3jrd h TYR 51 N 0.00 0.54 0.00 1.25 3.20 -1.99 -1.52 116.97 118.44 3jrd h TYR 51 Ca -0.00 -0.23 -0.10 0.00 3.14 0.00 0.00 58.73 61.53 3jrd h TYR 51 Cb 0.63 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.80 3jrd h TYR 51 CO 0.00 0.98 -0.48 1.49 -1.64 0.00 0.00 178.16 178.51 3jrd h GLU 52 N -0.06 0.00 -0.05 1.82 4.57 -1.80 -1.82 114.58 117.25 3jrd h GLU 52 Ca -0.02 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.14 3jrd h GLU 52 Cb 1.02 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.61 3jrd h GLU 52 CO 0.08 0.48 -0.04 1.25 -1.18 0.00 0.00 179.01 179.60 3jrd h LEU 53 N 0.00 0.11 -0.18 1.64 5.85 -1.07 -0.66 115.31 121.00 3jrd h LEU 53 Ca -0.00 -0.47 -0.04 0.00 0.84 0.00 0.00 57.88 58.20 3jrd h LEU 53 Cb 0.89 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.88 3jrd h LEU 53 CO 0.06 0.56 -0.04 0.58 -0.34 0.00 0.00 178.44 179.27 3jrd h VAL 54 N -0.33 1.28 -0.61 1.05 2.07 -1.18 -2.57 116.25 115.96 3jrd h VAL 54 Ca 0.01 -1.00 0.02 0.00 0.82 0.00 0.00 66.70 66.55 3jrd h VAL 54 Cb 0.53 1.57 -0.04 0.00 -1.52 0.00 0.00 31.29 31.83 3jrd h VAL 54 CO 0.01 0.30 0.39 0.25 0.02 0.00 0.00 177.57 178.54 3jrd h LEU 55 N 0.07 0.65 -0.74 2.57 5.85 -1.41 -1.95 115.31 120.35 3jrd h LEU 55 Ca 0.05 -0.00 0.15 0.00 0.84 0.00 0.00 57.88 58.91 3jrd h LEU 55 Cb 0.48 -0.15 -0.10 0.00 0.37 0.00 0.00 40.66 41.26 3jrd h LEU 55 CO 0.02 0.46 0.24 0.00 -0.34 0.00 0.00 178.44 178.82 3jrd h ALA 56 N 1.25 1.01 -0.00 1.25 0.00 -0.92 0.14 119.26 122.00 3jrd h ALA 56 Ca 0.24 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.29 3jrd h ALA 56 Cb -0.02 0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3jrd h ALA 56 CO -0.08 -0.28 -0.04 -1.91 0.00 0.00 0.00 179.25 176.94 3jrd n GLU 57 N -5.08 0.44 -0.09 0.00 2.13 -0.77 -3.52 120.64 113.75 3jrd n GLU 57 Ca 0.14 -0.05 -0.12 0.00 0.66 0.00 0.00 57.16 57.79 3jrd n GLU 57 Cb 0.44 -1.50 -0.08 0.00 0.27 0.00 0.00 31.44 30.57 3jrd n GLU 57 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 3jrd n VAL 58 N -1.24 1.01 0.00 6.31 0.31 -0.27 -4.49 118.33 119.96 3jrd n VAL 58 Ca 0.13 -0.40 -0.10 0.00 -0.01 0.00 0.00 64.34 63.97 3jrd n VAL 58 Cb 0.26 -1.09 -0.04 0.00 -0.91 0.00 0.00 33.84 32.05 3jrd n VAL 58 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3jrd h GLU 59 N 0.00 -0.06 -0.18 5.55 5.08 -0.90 -2.87 114.58 121.20 3jrd h GLU 59 Ca -0.39 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.02 3jrd h GLU 59 Cb 1.63 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 30.83 3jrd h GLU 59 CO -0.06 -0.04 -0.20 1.96 -1.00 0.00 0.00 179.01 179.67 3jrd h GLN 60 N -0.06 -0.22 0.00 2.33 4.20 -1.80 0.11 115.11 119.67 3jrd h GLN 60 Ca 0.06 0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.75 3jrd h GLN 60 Cb 0.15 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 3jrd h GLN 60 CO -0.14 -0.15 -0.18 -1.35 -0.67 0.00 0.00 178.83 176.35 3jrd h PRO 61 N -0.23 0.00 -0.16 1.46 0.11 -1.79 -0.10 132.00 131.29 3jrd h PRO 61 Ca 0.12 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.19 3jrd h PRO 61 Cb 0.40 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.51 3jrd h PRO 61 CO -0.31 0.18 -0.03 1.25 -0.21 0.00 0.00 178.00 178.87 3jrd h LEU 62 N 0.00 0.31 -0.43 2.35 5.85 -1.01 -2.62 115.31 119.76 3jrd h LEU 62 Ca -0.00 -0.36 -0.06 0.00 0.84 0.00 0.00 57.88 58.30 3jrd h LEU 62 Cb 0.35 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 3jrd h LEU 62 CO 0.02 0.60 0.03 -0.07 -0.34 0.00 0.00 178.44 178.68 3jrd h LEU 63 N 0.01 0.71 0.51 2.25 3.38 -0.36 -1.60 115.31 120.21 3jrd h LEU 63 Ca 0.04 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 3jrd h LEU 63 Cb 0.46 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 3jrd h LEU 63 CO 0.02 0.83 -0.44 0.44 0.09 0.00 0.00 178.44 179.37 3jrd h ASP 64 N 0.58 -1.17 0.07 -0.43 3.32 -1.10 -1.35 116.42 116.34 3jrd h ASP 64 Ca 0.12 0.09 -0.03 0.00 0.02 0.00 0.00 57.03 57.23 3jrd h ASP 64 Cb 0.44 0.38 -0.01 0.00 0.22 0.00 0.00 39.33 40.37 3jrd h ASP 64 CO 0.02 -0.61 -0.10 0.24 -1.72 0.00 0.00 179.24 177.06 3jrd h MET 65 N -0.94 0.08 0.00 3.56 2.86 -1.37 0.14 114.93 119.26 3jrd h MET 65 Ca -0.06 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.57 3jrd h MET 65 Cb 0.81 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.45 3jrd h MET 65 CO -0.02 0.19 -0.53 -0.39 1.06 0.00 0.00 176.91 177.21 3jrd h VAL 66 N 0.08 0.01 0.00 -2.22 -1.51 -1.14 -2.50 116.25 108.98 3jrd h VAL 66 Ca 0.02 -1.02 -0.19 0.00 -1.23 0.00 0.00 66.70 64.28 3jrd h VAL 66 Cb 0.24 1.75 -0.03 0.00 -2.13 0.00 0.00 31.29 31.11 3jrd h VAL 66 CO 0.01 0.01 -0.96 0.24 -1.23 0.00 0.00 177.57 175.64 3jrd h MET 67 N 0.00 0.00 -0.08 5.19 2.07 -0.32 -2.14 114.93 119.66 3jrd h MET 67 Ca -0.00 0.00 -0.02 0.00 -2.07 0.00 0.00 59.70 57.60 3jrd h MET 67 Cb 1.01 0.00 -0.00 0.00 -1.87 0.00 0.00 31.60 30.74 3jrd h MET 67 CO 0.00 0.77 -0.05 0.37 1.07 0.00 0.00 176.91 179.07 3jrd h GLN 68 N 0.00 0.17 -0.10 1.72 4.15 -0.79 0.32 115.11 120.58 3jrd h GLN 68 Ca -0.04 -0.08 0.01 0.00 0.77 0.00 0.00 58.65 59.31 3jrd h GLN 68 Cb 1.68 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 29.35 3jrd h GLN 68 CO 0.10 0.56 0.00 -0.92 -1.93 0.00 0.00 178.83 176.65 3jrd h TYR 69 N -0.23 0.00 -0.38 3.99 3.20 -1.52 -2.51 116.97 119.52 3jrd h TYR 69 Ca 0.01 0.01 -0.19 0.00 3.14 0.00 0.00 58.73 61.70 3jrd h TYR 69 Cb 0.52 0.01 -0.11 0.00 1.54 0.00 0.00 36.73 38.69 3jrd h TYR 69 CO 0.08 -0.01 0.24 0.25 -1.64 0.00 0.00 178.16 177.08 3jrd n THR 70 N -5.11 1.81 -4.26 1.81 -2.24 -0.80 -4.90 114.28 100.59 3jrd n THR 70 Ca -0.05 -0.75 -0.30 0.00 -2.27 0.00 0.00 64.05 60.68 3jrd n THR 70 Cb 0.06 -0.75 -0.10 0.00 -2.10 0.00 0.00 70.33 67.44 3jrd n THR 70 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3jrd n ARG 71 N -0.12 -0.93 0.00 -0.78 5.12 -0.94 0.10 116.66 119.10 3jrd n ARG 71 Ca 0.23 0.09 0.00 0.00 -1.93 0.00 0.00 57.85 56.23 3jrd n ARG 71 Cb 0.94 -3.45 0.00 0.00 -1.16 0.00 0.00 32.46 28.79 3jrd n ARG 71 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3jrd n GLY 72 N -2.53 2.33 3.56 -0.13 0.00 0.09 -4.94 105.19 103.56 3jrd n GLY 72 Ca -0.32 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.47 3jrd n GLY 72 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3jrd s ASN 73 N -3.29 4.40 0.35 1.61 3.84 0.28 -4.81 114.94 117.32 3jrd s ASN 73 Ca 0.00 0.14 0.09 0.00 0.21 0.00 0.00 52.86 53.30 3jrd s ASN 73 Cb 0.00 -2.54 0.82 0.00 -0.55 0.00 0.00 41.25 38.98 3jrd s ASN 73 CO 0.00 -3.29 1.85 1.56 -2.79 0.00 0.00 177.10 174.43 3jrd h GLN 74 N 14.07 0.67 0.15 0.43 4.20 -1.92 -1.80 115.11 130.91 3jrd h GLN 74 Ca -0.05 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.61 3jrd h GLN 74 Cb 1.07 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.70 3jrd h GLN 74 CO 1.10 0.44 -0.07 1.15 -0.67 0.00 0.00 178.83 180.78 3jrd h THR 75 N 0.69 0.98 -0.41 -0.54 2.02 -1.96 -1.88 112.91 111.80 3jrd h THR 75 Ca 0.47 -0.65 -0.07 0.00 0.77 0.00 0.00 66.41 66.94 3jrd h THR 75 Cb 0.79 1.38 -0.02 0.00 -1.74 0.00 0.00 68.15 68.55 3jrd h THR 75 CO -0.23 0.15 -0.02 0.03 0.37 0.00 0.00 175.52 175.82 3jrd h ARG 76 N -0.52 0.68 0.29 6.66 3.08 -1.90 -2.72 114.38 119.95 3jrd h ARG 76 Ca -0.02 -0.17 -0.00 0.00 0.07 0.00 0.00 59.98 59.86 3jrd h ARG 76 Cb 0.40 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.33 3jrd h ARG 76 CO 0.03 0.71 -0.51 0.00 -1.07 0.00 0.00 179.97 179.14 3jrd h ALA 77 N 1.35 -1.06 -0.80 0.04 0.00 -1.23 0.63 119.26 118.18 3jrd h ALA 77 Ca 0.13 -0.14 0.19 0.00 0.00 0.00 0.00 54.91 55.08 3jrd h ALA 77 Cb 0.43 0.81 -0.14 0.00 0.00 0.00 0.00 17.79 18.89 3jrd h ALA 77 CO 0.02 -1.14 0.03 0.00 0.00 0.00 0.00 179.25 178.15 3jrd h ALA 78 N -0.74 0.88 -0.72 0.00 0.00 -1.26 0.25 119.26 117.66 3jrd h ALA 78 Ca -0.03 0.25 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 3jrd h ALA 78 Cb 0.79 0.43 -0.03 0.00 0.00 0.00 0.00 17.79 18.98 3jrd h ALA 78 CO -0.18 -0.44 0.21 -0.07 0.00 0.00 0.00 179.25 178.77 3jrd h LEU 79 N 0.11 1.07 0.47 0.00 3.38 -1.09 0.14 115.31 119.38 3jrd h LEU 79 Ca 0.45 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 58.18 3jrd h LEU 79 Cb 0.82 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.29 3jrd h LEU 79 CO -0.70 1.00 -0.23 0.24 0.09 0.00 0.00 178.44 178.85 3jrd h MET 80 N 1.08 -0.61 -0.03 1.13 2.86 0.59 -3.13 114.93 116.82 3jrd h MET 80 Ca 0.23 0.04 -0.08 0.00 -2.06 0.00 0.00 59.70 57.83 3jrd h MET 80 Cb 0.32 0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.11 3jrd h MET 80 CO -0.00 -0.37 -0.36 0.52 1.06 0.00 0.00 176.91 177.75 3jrd h MET 81 N -0.72 0.06 0.00 1.72 2.86 -0.91 -3.47 114.93 114.48 3jrd h MET 81 Ca -0.06 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.55 3jrd h MET 81 Cb 0.53 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.18 3jrd h MET 81 CO 0.11 0.42 0.00 0.41 1.06 0.00 0.00 176.91 178.91 3jrd n GLY 82 N -0.44 0.75 3.94 8.32 0.00 0.45 -5.08 105.19 113.13 3jrd n GLY 82 Ca -0.02 -0.18 -0.19 0.00 0.00 0.00 0.00 46.02 45.64 3jrd n GLY 82 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3jrd s ILE 83 N -2.00 3.06 0.26 -0.61 -4.36 -1.02 -5.02 121.20 111.50 3jrd s ILE 83 Ca 0.00 -1.17 -0.24 0.00 -0.26 0.00 0.00 60.65 58.98 3jrd s ILE 83 Cb 0.00 -3.07 -0.09 0.00 1.25 0.00 0.00 42.46 40.55 3jrd s ILE 83 CO 0.00 -0.04 0.85 0.21 0.24 0.00 0.00 174.94 176.20 3jrd s ASN 84 N -4.21 7.30 0.56 4.36 3.84 -1.26 -4.35 114.94 121.18 3jrd s ASN 84 Ca 0.50 1.69 0.42 0.00 0.21 0.00 0.00 52.86 55.68 3jrd s ASN 84 Cb -0.07 -2.52 1.56 0.00 -0.55 0.00 0.00 41.25 39.67 3jrd s ASN 84 CO 0.30 0.04 1.64 0.03 -2.79 0.00 0.00 177.10 176.32 3jrd h ARG 85 N 3.56 0.00 0.08 0.43 3.08 -1.92 -0.08 114.38 119.53 3jrd h ARG 85 Ca -0.47 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.58 3jrd h ARG 85 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.25 3jrd h ARG 85 CO 0.66 0.00 -0.04 0.78 -1.07 0.00 0.00 179.97 180.30 3jrd h GLY 86 N 0.00 -0.11 -0.81 0.04 0.00 -1.99 -2.21 103.07 97.99 3jrd h GLY 86 Ca 0.71 0.04 0.13 0.00 0.00 0.00 0.00 47.33 48.21 3jrd h GLY 86 CO -0.01 -0.04 -0.42 -0.84 0.00 0.00 0.00 176.54 175.24 3jrd h THR 87 N -1.01 0.04 -0.78 4.70 2.02 -1.57 0.82 112.91 117.14 3jrd h THR 87 Ca -0.01 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.27 3jrd h THR 87 Cb 0.29 0.04 -0.08 0.00 -1.74 0.00 0.00 68.15 66.66 3jrd h THR 87 CO 0.02 0.00 0.41 0.25 0.37 0.00 0.00 175.52 176.57 3jrd h LEU 88 N -0.07 0.55 -0.06 2.58 5.85 -1.09 -0.87 115.31 122.20 3jrd h LEU 88 Ca 0.27 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 59.05 3jrd h LEU 88 Cb 0.56 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.55 3jrd h LEU 88 CO -0.88 0.30 0.02 0.03 -0.34 0.00 0.00 178.44 177.58 3jrd h ARG 89 N 0.68 0.10 -0.59 1.25 3.08 -0.26 -1.78 114.38 116.86 3jrd h ARG 89 Ca 0.39 -0.02 0.12 0.00 0.07 0.00 0.00 59.98 60.54 3jrd h ARG 89 Cb 0.42 -0.01 -0.11 0.00 0.08 0.00 0.00 29.97 30.34 3jrd h ARG 89 CO -0.28 0.25 -0.18 -0.22 -1.07 0.00 0.00 179.97 178.47 3jrd h LYS 90 N -0.07 -0.04 -0.01 0.04 3.64 0.24 0.95 116.57 121.31 3jrd h LYS 90 Ca 0.02 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.34 3jrd h LYS 90 Cb 0.19 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 3jrd h LYS 90 CO -0.00 -0.02 -0.27 0.87 -2.27 0.00 0.00 179.45 177.75 3jrd h LYS 91 N -0.04 0.02 -0.23 1.90 1.57 -1.14 -0.52 116.57 118.14 3jrd h LYS 91 Ca 0.28 -0.01 -0.10 0.00 -1.87 0.00 0.00 60.65 58.95 3jrd h LYS 91 Cb 0.47 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.77 3jrd h LYS 91 CO -0.63 0.29 -0.26 -0.07 -0.57 0.00 0.00 179.45 178.21 3jrd h LEU 92 N 0.02 0.63 -0.70 2.94 3.38 -0.01 -2.83 115.31 118.74 3jrd h LEU 92 Ca 0.00 -0.49 0.04 0.00 0.09 0.00 0.00 57.88 57.52 3jrd h LEU 92 Cb 0.49 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.02 3jrd h LEU 92 CO 0.04 0.99 0.43 0.50 0.09 0.00 0.00 178.44 180.48 3jrd h LYS 93 N 0.28 0.80 -0.83 1.13 3.64 -0.17 0.15 116.57 121.55 3jrd h LYS 93 Ca 0.03 -0.05 0.13 0.00 -1.27 0.00 0.00 60.65 59.49 3jrd h LYS 93 Cb 0.83 -0.18 -0.09 0.00 -0.41 0.00 0.00 32.23 32.38 3jrd h LYS 93 CO 0.06 0.53 0.44 -0.22 -2.27 0.00 0.00 179.45 177.99 3jrd h LYS 94 N 0.82 0.65 -0.60 1.90 3.64 -0.89 0.58 116.57 122.67 3jrd h LYS 94 Ca 0.29 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.63 3jrd h LYS 94 Cb 0.07 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.74 3jrd h LYS 94 CO -0.13 0.43 0.00 0.66 -2.27 0.00 0.00 179.45 178.14 3jrd n TYR 95 N -4.83 1.50 -4.06 1.91 4.01 -1.11 -4.95 117.16 109.62 3jrd n TYR 95 Ca 0.16 -0.64 -0.41 0.00 -0.16 0.00 0.00 57.90 56.84 3jrd n TYR 95 Cb 0.38 -0.28 0.00 0.00 -0.31 0.00 0.00 39.34 39.13 3jrd n TYR 95 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3jrd n GLY 96 N 0.91 -0.70 0.44 2.72 0.00 0.20 -4.85 105.19 103.91 3jrd n GLY 96 Ca 0.25 0.31 0.08 0.00 0.00 0.00 0.00 46.02 46.66 3jrd n GLY 96 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3jrd n MET 97 N -4.84 1.59 0.00 1.61 0.00 0.45 -5.02 117.12 110.91 3jrd n MET 97 Ca -0.16 -0.99 0.16 0.00 0.00 0.00 0.00 57.70 56.71 3jrd n MET 97 Cb 0.60 -1.27 0.89 0.00 0.00 0.00 0.00 33.22 33.43 3jrd n MET 97 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 175.97 176.24