#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jrd s PHE 2 N 0.00 3.49 -0.01 1.12 2.99 -1.26 -5.09 117.98 119.22 3jrd s PHE 2 Ca 0.00 0.71 -0.02 0.00 0.00 0.00 0.00 56.93 57.62 3jrd s PHE 2 Cb 0.00 -2.12 -0.04 0.00 0.00 0.00 0.00 43.02 40.86 3jrd s PHE 2 CO 0.00 0.41 0.15 -1.21 -0.00 0.00 0.00 175.22 174.56 3jrd s GLU 3 N -2.51 3.31 0.31 0.44 2.02 -1.26 -5.06 118.70 115.95 3jrd s GLU 3 Ca 0.41 -0.38 -0.29 0.00 0.02 0.00 0.00 54.97 54.73 3jrd s GLU 3 Cb -0.12 -3.02 -0.10 0.00 0.10 0.00 0.00 34.13 30.99 3jrd s GLU 3 CO 0.22 0.67 1.33 -1.14 0.02 0.00 0.00 175.26 176.35 3jrd s GLN 4 N -1.87 4.34 -0.29 1.61 0.74 -1.26 -5.01 119.66 117.93 3jrd s GLN 4 Ca 0.26 2.22 -0.00 0.00 0.05 0.00 0.00 55.36 57.89 3jrd s GLN 4 Cb -0.12 -3.08 0.09 0.00 1.10 0.00 0.00 33.01 30.99 3jrd s GLN 4 CO 0.17 -0.22 0.07 0.50 -0.55 0.00 0.00 175.29 175.25 3jrd s ARG 5 N -1.52 0.92 0.79 1.67 3.52 -1.26 -5.12 118.95 117.95 3jrd s ARG 5 Ca 0.51 -1.10 -0.13 0.00 -0.13 0.00 0.00 55.73 54.88 3jrd s ARG 5 Cb -0.40 -2.24 0.08 0.00 -1.56 0.00 0.00 34.95 30.82 3jrd s ARG 5 CO 0.51 -0.89 1.18 0.14 -0.81 0.00 0.00 175.30 175.43 3jrd s VAL 6 N 1.52 2.30 0.35 7.11 -7.23 -1.26 -4.81 120.40 118.38 3jrd s VAL 6 Ca 0.07 0.13 0.03 0.00 -1.81 0.00 0.00 61.98 60.39 3jrd s VAL 6 Cb -0.18 -2.52 0.25 0.00 0.56 0.00 0.00 36.38 34.50 3jrd s VAL 6 CO -0.19 -0.10 2.00 0.78 -0.31 0.00 0.00 175.10 177.29 3jrd h ASN 7 N -0.88 0.69 -0.80 4.85 4.21 -2.01 0.13 115.58 121.77 3jrd h ASN 7 Ca -0.46 -0.03 0.11 0.00 1.21 0.00 0.00 56.30 57.13 3jrd h ASN 7 Cb 1.28 -0.17 -0.08 0.00 -1.12 0.00 0.00 38.32 38.23 3jrd h ASN 7 CO 0.47 0.52 0.43 0.77 -1.29 0.00 0.00 177.43 178.33 3jrd h SER 8 N 0.81 0.57 0.92 5.81 4.64 -1.93 -2.79 113.55 121.58 3jrd h SER 8 Ca 0.22 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 3jrd h SER 8 Cb -0.06 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 61.99 3jrd h SER 8 CO -0.04 0.30 0.00 -0.67 -0.87 0.00 0.00 176.83 175.55 3jrd n ASP 9 N -4.81 0.74 -0.03 4.97 2.03 0.42 -3.72 116.55 116.15 3jrd n ASP 9 Ca 0.14 0.65 -0.13 0.00 0.52 0.00 0.00 54.79 55.98 3jrd n ASP 9 Cb 0.32 -0.82 -0.00 0.00 -0.72 0.00 0.00 41.12 39.90 3jrd n ASP 9 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 3jrd h VAL 10 N 0.00 1.30 -3.67 5.18 2.07 -1.23 -3.39 116.25 116.51 3jrd h VAL 10 Ca 0.00 -1.82 -0.70 0.00 0.82 0.00 0.00 66.70 65.00 3jrd h VAL 10 Cb 0.46 1.77 -0.28 0.00 -1.52 0.00 0.00 31.29 31.72 3jrd h VAL 10 CO 0.00 0.58 -0.60 -0.76 0.02 0.00 0.00 177.57 176.81 3jrd s LEU 11 N -8.46 4.35 0.07 2.57 1.43 -1.24 -5.10 118.68 112.29 3jrd s LEU 11 Ca -0.09 -1.12 0.01 0.00 -1.03 0.00 0.00 54.13 51.90 3jrd s LEU 11 Cb 0.10 -1.88 -0.03 0.00 0.03 0.00 0.00 46.19 44.41 3jrd s LEU 11 CO 0.87 -0.33 -0.06 0.42 0.23 0.00 0.00 176.35 177.47 3jrd s THR 12 N 1.42 0.54 0.23 5.49 -4.23 -1.26 -1.08 115.64 116.75 3jrd s THR 12 Ca -0.01 -1.52 0.10 0.00 -1.18 0.00 0.00 61.69 59.08 3jrd s THR 12 Cb -0.19 -1.15 -0.05 0.00 1.34 0.00 0.00 72.50 72.45 3jrd s THR 12 CO 0.03 -0.67 -0.18 -0.69 -0.54 0.00 0.00 174.62 172.57 3jrd s VAL 13 N -2.63 2.13 -0.38 2.29 1.01 0.12 -4.86 120.40 118.08 3jrd s VAL 13 Ca 0.01 -2.24 -0.19 0.00 0.00 0.00 0.00 61.98 59.56 3jrd s VAL 13 Cb -0.01 -2.13 0.01 0.00 0.00 0.00 0.00 36.38 34.24 3jrd s VAL 13 CO -0.03 -0.42 0.57 -0.44 0.00 0.00 0.00 175.10 174.78 3jrd s SER 14 N -3.24 6.34 0.21 3.32 0.01 -1.26 -0.68 113.70 118.39 3jrd s SER 14 Ca 0.25 -0.11 0.10 0.00 1.31 0.00 0.00 55.95 57.49 3jrd s SER 14 Cb -0.04 -2.29 -0.04 0.00 0.21 0.00 0.00 66.02 63.85 3jrd s SER 14 CO 0.11 -0.59 -0.11 0.42 0.41 0.00 0.00 173.24 173.48 3jrd s THR 15 N 2.56 3.06 -0.00 1.44 -4.23 0.22 -4.93 115.64 113.76 3jrd s THR 15 Ca 0.21 -1.82 0.06 0.00 -1.18 0.00 0.00 61.69 58.96 3jrd s THR 15 Cb -0.15 -2.54 -0.03 0.00 1.34 0.00 0.00 72.50 71.12 3jrd s THR 15 CO 0.15 -0.18 -0.19 -0.69 -0.54 0.00 0.00 174.62 173.17 3jrd s VAL 16 N -1.88 2.70 0.49 2.29 1.01 -1.26 0.29 120.40 124.05 3jrd s VAL 16 Ca 0.26 -1.02 0.07 0.00 0.00 0.00 0.00 61.98 61.28 3jrd s VAL 16 Cb -0.08 -2.07 0.02 0.00 0.00 0.00 0.00 36.38 34.25 3jrd s VAL 16 CO 0.15 0.48 0.41 0.54 0.00 0.00 0.00 175.10 176.67 3jrd s ASN 17 N -1.02 4.78 0.00 3.32 2.20 -0.58 -4.86 114.94 118.78 3jrd s ASN 17 Ca 0.12 -1.04 0.00 0.00 -0.94 0.00 0.00 52.86 51.00 3jrd s ASN 17 Cb -0.10 0.01 0.00 0.00 -2.00 0.00 0.00 41.25 39.16 3jrd s ASN 17 CO 0.02 -0.93 0.60 -1.54 -2.94 0.00 0.00 177.10 172.31 3jrd n SER 18 N -1.69 0.00 -1.37 3.54 3.41 -1.26 0.37 113.62 116.62 3jrd n SER 18 Ca 0.01 0.18 -0.10 0.00 -0.26 0.00 0.00 58.87 58.70 3jrd n SER 18 Cb 0.63 -0.18 0.14 0.00 -0.26 0.00 0.00 64.21 64.54 3jrd n SER 18 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3jrd n GLN 19 N -1.10 2.40 -4.07 4.33 3.00 -1.26 -4.98 117.38 115.69 3jrd n GLN 19 Ca 0.00 -3.55 -0.36 0.00 -0.01 0.00 0.00 57.00 53.08 3jrd n GLN 19 Cb 0.08 -1.94 -0.02 0.00 0.00 0.00 0.00 30.24 28.35 3jrd n GLN 19 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 3jrd n ASP 20 N -0.98 -2.05 -3.90 1.08 8.00 0.16 -4.94 116.55 113.92 3jrd n ASP 20 Ca 0.35 -1.20 -0.21 0.00 0.71 0.00 0.00 54.79 54.44 3jrd n ASP 20 Cb 0.89 -2.16 -0.16 0.00 -0.02 0.00 0.00 41.12 39.67 3jrd n ASP 20 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 3jrd s GLN 21 N -7.05 0.90 0.09 -1.24 2.00 -1.25 -4.89 119.66 108.23 3jrd s GLN 21 Ca 0.25 -0.12 -0.25 0.00 -2.00 0.00 0.00 55.36 53.24 3jrd s GLN 21 Cb -0.12 -0.90 -0.06 0.00 0.80 0.00 0.00 33.01 32.72 3jrd s GLN 21 CO 0.95 -0.09 0.78 0.08 -0.50 0.00 0.00 175.29 176.51 3jrd s VAL 22 N 0.96 4.59 0.13 1.34 1.01 -1.26 -1.53 120.40 125.64 3jrd s VAL 22 Ca -0.10 1.67 -0.19 0.00 0.00 0.00 0.00 61.98 63.36 3jrd s VAL 22 Cb -0.14 -4.13 0.05 0.00 0.00 0.00 0.00 36.38 32.16 3jrd s VAL 22 CO 0.00 0.42 0.49 0.42 0.00 0.00 0.00 175.10 176.43 3jrd s THR 23 N -0.46 0.04 -0.44 3.92 -4.23 0.14 -4.98 115.64 109.64 3jrd s THR 23 Ca 0.38 -0.33 -0.08 0.00 -1.18 0.00 0.00 61.69 60.48 3jrd s THR 23 Cb -0.22 -1.09 0.10 0.00 1.34 0.00 0.00 72.50 72.64 3jrd s THR 23 CO 0.24 -0.18 0.28 -1.10 -0.54 0.00 0.00 174.62 173.32 3jrd s GLN 24 N -3.66 2.47 0.20 3.99 -1.52 -1.25 0.70 119.66 120.58 3jrd s GLN 24 Ca 0.01 -1.63 -0.06 0.00 -1.95 0.00 0.00 55.36 51.73 3jrd s GLN 24 Cb 0.01 -3.80 -0.06 0.00 -0.22 0.00 0.00 33.01 28.93 3jrd s GLN 24 CO -0.11 -1.06 0.47 -1.59 -0.25 0.00 0.00 175.29 172.74 3jrd s LYS 25 N 1.36 3.68 0.59 2.91 -2.85 0.14 -4.78 119.74 120.80 3jrd s LYS 25 Ca 0.05 0.05 -0.18 0.00 -1.00 0.00 0.00 55.97 54.88 3jrd s LYS 25 Cb -0.24 -2.74 -0.06 0.00 -2.06 0.00 0.00 37.83 32.73 3jrd s LYS 25 CO 0.00 0.37 0.90 -2.30 0.10 0.00 0.00 175.35 174.42 3jrd n PRO 26 N -0.18 0.85 0.06 1.78 -0.02 -1.26 0.11 135.00 136.34 3jrd n PRO 26 Ca -0.01 0.33 0.03 0.00 -2.02 0.00 0.00 63.50 61.83 3jrd n PRO 26 Cb 0.52 -2.09 0.43 0.00 -0.02 0.00 0.00 33.50 32.34 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 0.47 0.35 -1.93 2.45 5.85 -1.30 -2.31 115.31 118.89 3jrd h LEU 27 Ca -0.48 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.20 3jrd h LEU 27 Cb 1.37 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 42.31 3jrd h LEU 27 CO 0.50 0.34 -0.05 0.08 -0.34 0.00 0.00 178.44 178.97 3jrd h ARG 28 N 0.39 0.00 -0.07 1.25 0.11 -1.87 -0.79 114.38 113.39 3jrd h ARG 28 Ca 0.10 0.00 -0.14 0.00 0.10 0.00 0.00 59.98 60.04 3jrd h ARG 28 Cb 0.11 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.18 3jrd h ARG 28 CO -0.01 0.05 -0.58 -0.44 0.10 0.00 0.00 179.97 179.09 3jrd h ASP 29 N 0.00 0.27 -0.23 0.08 3.32 -1.78 -0.33 116.42 117.75 3jrd h ASP 29 Ca -0.00 -0.15 -0.09 0.00 0.02 0.00 0.00 57.03 56.81 3jrd h ASP 29 Cb 0.09 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 3jrd h ASP 29 CO 0.01 0.79 -0.14 0.28 -1.72 0.00 0.00 179.24 178.46 3jrd h SER 30 N 0.18 0.64 -0.39 6.45 0.02 -1.21 -1.23 113.55 118.01 3jrd h SER 30 Ca -0.00 -0.19 -0.08 0.00 -0.84 0.00 0.00 61.79 60.68 3jrd h SER 30 Cb 1.08 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.43 3jrd h SER 30 CO 0.09 0.80 -0.06 0.58 -1.14 0.00 0.00 176.83 177.10 3jrd h VAL 31 N 0.59 1.27 -0.49 2.27 2.07 -1.16 -0.81 116.25 119.99 3jrd h VAL 31 Ca 0.10 -1.11 0.02 0.00 0.82 0.00 0.00 66.70 66.52 3jrd h VAL 31 Cb 0.58 1.20 -0.03 0.00 -1.52 0.00 0.00 31.29 31.52 3jrd h VAL 31 CO 0.04 0.37 0.30 0.50 0.02 0.00 0.00 177.57 178.80 3jrd h LYS 32 N 0.54 0.59 -0.15 1.57 3.64 -0.69 -2.65 116.57 119.41 3jrd h LYS 32 Ca 0.10 -0.04 -0.18 0.00 -1.27 0.00 0.00 60.65 59.26 3jrd h LYS 32 Cb 0.56 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.24 3jrd h LYS 32 CO 0.03 0.39 -0.66 0.37 -2.27 0.00 0.00 179.45 177.31 3jrd h GLN 33 N 0.61 0.59 -0.85 1.90 4.15 -1.19 -1.99 115.11 118.33 3jrd h GLN 33 Ca 0.19 -0.43 0.16 0.00 0.77 0.00 0.00 58.65 59.34 3jrd h GLN 33 Cb -0.01 0.07 -0.10 0.00 0.21 0.00 0.00 27.48 27.66 3jrd h GLN 33 CO -0.08 1.05 0.42 0.00 -1.93 0.00 0.00 178.83 178.29 3jrd h ALA 34 N 0.85 1.28 0.15 3.38 0.00 -0.91 -1.38 119.26 122.64 3jrd h ALA 34 Ca -0.02 0.10 -0.31 0.00 0.00 0.00 0.00 54.91 54.68 3jrd h ALA 34 Cb 1.24 0.02 0.03 0.00 0.00 0.00 0.00 17.79 19.07 3jrd h ALA 34 CO 0.12 -0.14 -1.30 -0.07 0.00 0.00 0.00 179.25 177.86 3jrd h LEU 35 N 0.57 0.84 0.40 0.00 3.38 -1.39 -1.82 115.31 117.30 3jrd h LEU 35 Ca 0.47 -0.81 -0.01 0.00 0.09 0.00 0.00 57.88 57.63 3jrd h LEU 35 Cb 0.71 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 3jrd h LEU 35 CO -0.39 1.62 -0.49 0.50 0.09 0.00 0.00 178.44 179.77 3jrd h LYS 36 N 0.23 -0.88 -0.98 1.13 3.64 -1.17 -0.37 116.57 118.16 3jrd h LYS 36 Ca -0.20 0.06 0.28 0.00 -1.27 0.00 0.00 60.65 59.52 3jrd h LYS 36 Cb 1.98 0.20 -0.14 0.00 -0.41 0.00 0.00 32.23 33.87 3jrd h LYS 36 CO 0.25 -0.59 0.54 -0.97 -2.27 0.00 0.00 179.45 176.40 3jrd h ASN 37 N -0.92 0.52 -0.16 4.20 -0.73 -1.31 -1.76 115.58 115.43 3jrd h ASN 37 Ca -0.04 0.17 -0.07 0.00 1.87 0.00 0.00 56.30 58.23 3jrd h ASN 37 Cb 0.82 0.11 -0.00 0.00 0.27 0.00 0.00 38.32 39.52 3jrd h ASN 37 CO -0.11 -0.04 -0.18 0.22 -0.37 0.00 0.00 177.43 176.95 3jrd h TYR 38 N 0.42 0.48 0.19 0.67 5.03 -0.67 -2.74 116.97 120.35 3jrd h TYR 38 Ca 0.67 -0.15 -0.01 0.00 2.58 0.00 0.00 58.73 61.82 3jrd h TYR 38 Cb 1.41 -0.10 0.00 0.00 1.55 0.00 0.00 36.73 39.60 3jrd h TYR 38 CO -0.04 0.80 -0.09 0.74 -1.32 0.00 0.00 178.16 178.25 3jrd h PHE 39 N 0.03 -0.24 -0.92 -3.82 0.04 -0.63 -2.86 116.94 108.54 3jrd h PHE 39 Ca 0.02 -0.01 0.25 0.00 2.80 0.00 0.00 57.97 61.04 3jrd h PHE 39 Cb 0.73 0.08 -0.16 0.00 2.20 0.00 0.00 35.95 38.79 3jrd h PHE 39 CO 0.09 -0.04 0.12 0.00 -0.60 0.00 0.00 178.31 177.87 3jrd h ALA 40 N 0.40 1.20 -0.12 2.45 0.00 -1.36 0.64 119.26 122.47 3jrd h ALA 40 Ca -0.03 0.29 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3jrd h ALA 40 Cb 0.30 0.47 0.00 0.00 0.00 0.00 0.00 17.79 18.56 3jrd h ALA 40 CO 0.04 -0.54 0.00 1.04 0.00 0.00 0.00 179.25 179.79 3jrd n GLN 41 N -5.38 1.46 0.05 0.00 3.00 -1.03 -4.06 117.38 111.43 3jrd n GLN 41 Ca 0.22 -0.70 -0.23 0.00 -0.01 0.00 0.00 57.00 56.28 3jrd n GLN 41 Cb 0.72 -1.33 -0.15 0.00 0.00 0.00 0.00 30.24 29.49 3jrd n GLN 41 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.06 178.31 3jrd h LEU 42 N 1.38 0.55 -2.87 1.08 5.85 -0.63 -3.49 115.31 117.17 3jrd h LEU 42 Ca 0.00 -0.92 -0.39 0.00 0.84 0.00 0.00 57.88 57.41 3jrd h LEU 42 Cb 0.30 -0.18 0.11 0.00 0.37 0.00 0.00 40.66 41.26 3jrd h LEU 42 CO 0.00 1.76 -0.91 0.59 -0.34 0.00 0.00 178.44 179.54 3jrd n ASN 43 N -3.65 -5.17 -0.52 1.25 4.13 -1.25 -3.22 115.26 106.82 3jrd n ASN 43 Ca -0.26 -0.92 -0.07 0.00 1.68 0.00 0.00 54.58 55.01 3jrd n ASN 43 Cb 1.04 -3.89 -0.03 0.00 -1.54 0.00 0.00 39.78 35.35 3jrd n ASN 43 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3jrd n GLY 44 N -1.57 0.86 3.77 7.41 0.00 -1.26 -5.00 105.19 109.41 3jrd n GLY 44 Ca -0.11 -0.35 -0.38 0.00 0.00 0.00 0.00 46.02 45.19 3jrd n GLY 44 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3jrd s GLN 45 N -2.22 4.64 0.38 1.61 2.00 -1.20 -5.03 119.66 119.83 3jrd s GLN 45 Ca 0.00 1.40 -0.25 0.00 -2.00 0.00 0.00 55.36 54.51 3jrd s GLN 45 Cb 0.00 -2.93 -0.09 0.00 0.80 0.00 0.00 33.01 30.79 3jrd s GLN 45 CO 0.00 0.32 1.08 0.16 -0.50 0.00 0.00 175.29 176.34 3jrd s ASP 46 N -1.47 6.80 0.04 6.67 -4.77 -1.26 -5.05 116.67 117.63 3jrd s ASP 46 Ca 0.48 2.13 0.09 0.00 -3.30 0.00 0.00 52.55 51.95 3jrd s ASP 46 Cb -0.21 -2.60 -0.03 0.00 -1.09 0.00 0.00 42.92 38.99 3jrd s ASP 46 CO 0.27 -0.47 -0.26 -0.69 0.70 0.00 0.00 175.17 174.72 3jrd s VAL 47 N -1.53 2.07 0.00 2.11 1.01 -1.26 -5.06 120.40 117.74 3jrd s VAL 47 Ca 0.55 -1.34 0.00 0.00 0.00 0.00 0.00 61.98 61.20 3jrd s VAL 47 Cb -0.25 -1.77 0.00 0.00 0.00 0.00 0.00 36.38 34.36 3jrd s VAL 47 CO 0.32 0.37 0.82 -0.46 0.00 0.00 0.00 175.10 176.15 3jrd n ASN 48 N 1.85 0.00 -1.08 3.32 6.94 -1.26 -4.94 115.26 120.09 3jrd n ASN 48 Ca -0.17 -1.68 -0.04 0.00 -0.02 0.00 0.00 54.58 52.67 3jrd n ASN 48 Cb 0.52 -0.14 -0.05 0.00 -2.36 0.00 0.00 39.78 37.76 3jrd n ASN 48 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 3jrd n ASP 49 N 0.00 -0.52 0.19 0.53 5.75 -1.26 -4.95 116.55 116.29 3jrd n ASP 49 Ca 0.00 -1.95 0.05 0.00 -0.01 0.00 0.00 54.79 52.88 3jrd n ASP 49 Cb 0.64 0.15 0.34 0.00 -1.03 0.00 0.00 41.12 41.22 3jrd n ASP 49 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 3jrd h LEU 50 N 0.21 0.00 -0.02 -2.12 5.85 -1.99 -0.16 115.31 117.09 3jrd h LEU 50 Ca -0.46 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.19 3jrd h LEU 50 Cb 1.50 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.53 3jrd h LEU 50 CO -0.19 0.38 -0.26 0.22 -0.34 0.00 0.00 178.44 178.25 3jrd h TYR 51 N 0.00 0.30 0.00 1.25 3.20 -1.99 -2.36 116.97 117.37 3jrd h TYR 51 Ca -0.00 -0.15 -0.04 0.00 3.14 0.00 0.00 58.73 61.67 3jrd h TYR 51 Cb 0.87 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 39.09 3jrd h TYR 51 CO 0.00 0.92 -0.21 1.49 -1.64 0.00 0.00 178.16 178.72 3jrd h GLU 52 N -0.41 0.00 0.06 1.82 4.57 -1.91 0.04 114.58 118.75 3jrd h GLU 52 Ca -0.03 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.15 3jrd h GLU 52 Cb 0.98 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.57 3jrd h GLU 52 CO 0.05 0.21 -0.03 1.25 -1.18 0.00 0.00 179.01 179.32 3jrd h LEU 53 N 0.00 -0.07 -0.40 1.64 5.85 -1.03 -2.56 115.31 118.74 3jrd h LEU 53 Ca -0.00 -0.47 -0.04 0.00 0.84 0.00 0.00 57.88 58.21 3jrd h LEU 53 Cb 0.53 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.56 3jrd h LEU 53 CO 0.03 0.45 0.10 0.58 -0.34 0.00 0.00 178.44 179.26 3jrd h VAL 54 N -0.62 1.23 -0.05 1.05 2.07 -1.24 -2.20 116.25 116.50 3jrd h VAL 54 Ca -0.01 -0.78 0.02 0.00 0.82 0.00 0.00 66.70 66.75 3jrd h VAL 54 Cb 0.53 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 3jrd h VAL 54 CO 0.01 0.27 -0.07 0.25 0.02 0.00 0.00 177.57 178.06 3jrd h LEU 55 N 0.51 -0.20 -0.93 2.57 5.85 -1.09 -2.15 115.31 119.87 3jrd h LEU 55 Ca 0.13 0.04 0.07 0.00 0.84 0.00 0.00 57.88 58.95 3jrd h LEU 55 Cb 0.31 0.10 -0.07 0.00 0.37 0.00 0.00 40.66 41.37 3jrd h LEU 55 CO 0.00 -0.09 0.58 0.00 -0.34 0.00 0.00 178.44 178.59 3jrd h ALA 56 N 0.94 1.29 0.00 1.25 0.00 -1.40 0.16 119.26 121.51 3jrd h ALA 56 Ca 0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3jrd h ALA 56 Cb 0.15 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 3jrd h ALA 56 CO -0.11 0.33 -0.03 1.49 0.00 0.00 0.00 179.25 180.94 3jrd h GLU 57 N 1.05 0.00 0.00 0.00 4.57 -0.79 -2.96 114.58 116.45 3jrd h GLU 57 Ca 0.41 0.00 -0.32 0.00 -1.18 0.00 0.00 59.36 58.27 3jrd h GLU 57 Cb 0.20 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 28.74 3jrd h GLU 57 CO -0.18 0.03 -2.01 0.28 -1.18 0.00 0.00 179.01 175.94 3jrd n VAL 58 N -3.14 1.52 -0.27 0.32 0.31 -0.66 -4.46 118.33 111.94 3jrd n VAL 58 Ca -0.00 -0.21 0.05 0.00 -0.01 0.00 0.00 64.34 64.17 3jrd n VAL 58 Cb 0.28 -2.03 0.19 0.00 -0.91 0.00 0.00 33.84 31.38 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 -1.00 0.56 0.00 5.55 5.08 -0.81 -2.58 114.58 121.37 3jrd h GLU 59 Ca -0.48 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 57.87 3jrd h GLU 59 Cb 1.41 -0.13 -0.06 0.00 0.50 0.00 0.00 28.75 30.48 3jrd h GLU 59 CO -0.29 0.37 -0.44 0.37 -1.00 0.00 0.00 179.01 178.02 3jrd h GLN 60 N 0.57 -0.57 0.00 2.33 4.15 -1.73 0.14 115.11 120.00 3jrd h GLN 60 Ca 0.42 0.04 -0.09 0.00 0.77 0.00 0.00 58.65 59.79 3jrd h GLN 60 Cb 0.58 0.13 -0.01 0.00 0.21 0.00 0.00 27.48 28.39 3jrd h GLN 60 CO -0.35 -0.38 -0.42 -1.00 -1.93 0.00 0.00 178.83 174.74 3jrd h PRO 61 N -0.59 0.00 -0.51 -2.39 0.14 -1.77 -1.43 132.00 125.44 3jrd h PRO 61 Ca 0.04 0.00 0.02 0.00 0.14 0.00 0.00 66.00 66.21 3jrd h PRO 61 Cb 0.67 0.00 -0.03 0.00 0.14 0.00 0.00 31.00 31.77 3jrd h PRO 61 CO -0.32 0.42 0.31 1.25 0.14 0.00 0.00 178.00 179.80 3jrd h LEU 62 N 0.00 0.50 0.04 1.56 5.85 -1.03 -1.13 115.31 121.10 3jrd h LEU 62 Ca -0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 3jrd h LEU 62 Cb 0.87 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.79 3jrd h LEU 62 CO 0.06 0.35 -0.02 -0.07 -0.34 0.00 0.00 178.44 178.42 3jrd h LEU 63 N 0.62 -0.05 -0.49 2.25 3.38 -0.44 -1.89 115.31 118.69 3jrd h LEU 63 Ca 0.21 -0.34 0.08 0.00 0.09 0.00 0.00 57.88 57.92 3jrd h LEU 63 Cb 0.02 0.01 -0.07 0.00 0.09 0.00 0.00 40.66 40.71 3jrd h LEU 63 CO -0.09 0.32 0.12 -0.78 0.09 0.00 0.00 178.44 178.10 3jrd h ASP 64 N -0.42 0.05 -0.16 -0.43 1.82 -1.22 -1.51 116.42 114.56 3jrd h ASP 64 Ca -0.01 0.08 -0.04 0.00 -0.39 0.00 0.00 57.03 56.68 3jrd h ASP 64 Cb 0.38 0.10 -0.00 0.00 0.68 0.00 0.00 39.33 40.49 3jrd h ASP 64 CO 0.01 0.05 -0.04 -0.03 -1.61 0.00 0.00 179.24 177.62 3jrd h MET 65 N 0.27 0.31 -0.46 0.28 4.05 -1.23 -2.55 114.93 115.59 3jrd h MET 65 Ca 0.25 -0.12 -0.01 0.00 -0.28 0.00 0.00 59.70 59.54 3jrd h MET 65 Cb 0.31 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 31.07 3jrd h MET 65 CO -0.30 0.59 0.26 0.28 0.23 0.00 0.00 176.91 177.97 3jrd h VAL 66 N 0.00 1.14 0.00 -5.77 2.07 -0.90 -2.22 116.25 110.57 3jrd h VAL 66 Ca 0.04 -0.34 -0.18 0.00 0.82 0.00 0.00 66.70 67.04 3jrd h VAL 66 Cb 0.48 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 3jrd h VAL 66 CO 0.02 0.15 -0.85 0.24 0.02 0.00 0.00 177.57 177.15 3jrd h MET 67 N 0.64 0.00 -0.32 1.57 2.86 -1.32 -1.56 114.93 116.79 3jrd h MET 67 Ca 0.17 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.81 3jrd h MET 67 Cb 0.00 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.65 3jrd h MET 67 CO -0.03 0.85 0.20 1.96 1.06 0.00 0.00 176.91 180.95 3jrd h GLN 68 N 0.00 0.43 -0.92 1.72 4.20 -1.17 0.17 115.11 119.55 3jrd h GLN 68 Ca -0.01 -0.04 0.08 0.00 0.06 0.00 0.00 58.65 58.75 3jrd h GLN 68 Cb 1.52 -0.09 -0.06 0.00 0.30 0.00 0.00 27.48 29.14 3jrd h GLN 68 CO 0.11 0.32 0.59 -0.92 -0.67 0.00 0.00 178.83 178.26 3jrd h TYR 69 N 0.42 1.03 -0.94 2.96 3.20 -1.14 -2.26 116.97 120.24 3jrd h TYR 69 Ca 0.12 0.03 -0.47 0.00 3.14 0.00 0.00 58.73 61.54 3jrd h TYR 69 Cb -0.01 -0.34 -0.28 0.00 1.54 0.00 0.00 36.73 37.65 3jrd h TYR 69 CO -0.04 0.50 0.58 0.25 -1.64 0.00 0.00 178.16 177.81 3jrd n THR 70 N -4.52 3.15 -4.00 1.81 -2.24 -0.61 -4.89 114.28 102.98 3jrd n THR 70 Ca 0.15 -1.92 -0.35 0.00 -2.27 0.00 0.00 64.05 59.66 3jrd n THR 70 Cb 0.25 -0.45 -0.00 0.00 -2.10 0.00 0.00 70.33 68.03 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 -1.03 -0.49 -0.88 -0.78 1.74 -0.85 0.40 116.66 114.77 3jrd n ARG 71 Ca 0.57 -0.05 0.00 0.00 -0.77 0.00 0.00 57.85 57.60 3jrd n ARG 71 Cb 1.62 -1.92 0.00 0.00 -1.02 0.00 0.00 32.46 31.14 3jrd n ARG 71 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3jrd n GLY 72 N -1.94 0.64 3.66 -0.13 0.00 0.59 -5.01 105.19 103.00 3jrd n GLY 72 Ca -0.12 0.00 -0.43 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 -2.57 7.11 0.16 1.61 3.84 0.16 -4.92 114.94 120.33 3jrd s ASN 73 Ca 0.00 1.40 0.03 0.00 0.21 0.00 0.00 52.86 54.50 3jrd s ASN 73 Cb 0.00 -2.54 -0.03 0.00 -0.55 0.00 0.00 41.25 38.13 3jrd s ASN 73 CO 0.00 -0.65 1.37 1.56 -2.79 0.00 0.00 177.10 176.59 3jrd h GLN 74 N 7.42 0.15 0.32 0.43 4.20 -1.95 -3.07 115.11 122.61 3jrd h GLN 74 Ca -0.20 -0.18 -0.02 0.00 0.06 0.00 0.00 58.65 58.31 3jrd h GLN 74 Cb 1.07 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.91 3jrd h GLN 74 CO 0.97 0.95 -0.15 1.15 -0.67 0.00 0.00 178.83 181.07 3jrd h THR 75 N 0.08 0.70 -0.64 -0.54 2.02 -1.97 -2.03 112.91 110.53 3jrd h THR 75 Ca -0.04 -0.49 -0.09 0.00 0.77 0.00 0.00 66.41 66.57 3jrd h THR 75 Cb 1.54 0.95 -0.02 0.00 -1.74 0.00 0.00 68.15 68.88 3jrd h THR 75 CO 0.13 0.10 0.06 0.03 0.37 0.00 0.00 175.52 176.21 3jrd h ARG 76 N -0.70 1.09 -0.49 6.66 3.08 -1.97 -2.06 114.38 119.99 3jrd h ARG 76 Ca -0.04 -0.31 0.02 0.00 0.07 0.00 0.00 59.98 59.72 3jrd h ARG 76 Cb 0.48 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.38 3jrd h ARG 76 CO 0.07 1.02 0.29 0.00 -1.07 0.00 0.00 179.97 180.28 3jrd h ALA 77 N 1.04 0.63 -0.14 0.04 0.00 -1.55 0.42 119.26 119.70 3jrd h ALA 77 Ca 0.19 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.99 3jrd h ALA 77 Cb 0.49 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3jrd h ALA 77 CO 0.02 -0.02 -0.36 0.00 0.00 0.00 0.00 179.25 178.90 3jrd h ALA 78 N 1.22 1.13 -0.55 0.00 0.00 -1.07 0.36 119.26 120.37 3jrd h ALA 78 Ca 0.20 -0.38 -0.10 0.00 0.00 0.00 0.00 54.91 54.63 3jrd h ALA 78 Cb 0.03 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3jrd h ALA 78 CO -0.09 0.56 -0.04 -0.07 0.00 0.00 0.00 179.25 179.61 3jrd h LEU 79 N 0.25 0.98 0.00 0.00 3.38 -0.64 -1.06 115.31 118.21 3jrd h LEU 79 Ca 0.03 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.68 3jrd h LEU 79 Cb 0.75 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.24 3jrd h LEU 79 CO 0.06 1.06 -0.50 0.00 0.09 0.00 0.00 178.44 179.15 3jrd h MET 80 N 0.87 0.00 0.00 1.13 -0.00 0.24 -2.97 114.93 114.19 3jrd h MET 80 Ca 0.15 0.00 -0.03 0.00 -0.00 0.00 0.00 59.70 59.82 3jrd h MET 80 Cb 0.59 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.18 3jrd h MET 80 CO 0.04 0.00 -0.61 0.52 -0.00 0.00 0.00 176.91 176.85 3jrd h MET 81 N 0.00 0.00 0.00 -0.10 2.86 -0.90 -3.48 114.93 113.31 3jrd h MET 81 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3jrd h MET 81 Cb 0.95 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.61 3jrd h MET 81 CO 0.00 0.10 0.00 0.41 1.06 0.00 0.00 176.91 178.48 3jrd n GLY 82 N 1.18 0.71 3.73 8.32 0.00 -0.46 -5.08 105.19 113.60 3jrd n GLY 82 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.25 4.35 0.14 -0.61 -4.36 -0.86 -5.01 121.20 112.61 3jrd s ILE 83 Ca 0.00 -0.66 -0.31 0.00 -0.26 0.00 0.00 60.65 59.41 3jrd s ILE 83 Cb 0.00 -3.01 -0.18 0.00 1.25 0.00 0.00 42.46 40.52 3jrd s ILE 83 CO 0.00 0.27 0.69 -3.20 0.24 0.00 0.00 174.94 172.94 3jrd n ASN 84 N 0.99 -0.83 0.31 4.36 4.05 -1.26 -4.37 115.26 118.50 3jrd n ASN 84 Ca -0.12 1.14 0.21 0.00 0.45 0.00 0.00 54.58 56.25 3jrd n ASN 84 Cb 0.52 -0.95 1.04 0.00 1.23 0.00 0.00 39.78 41.63 3jrd n ASN 84 CO 0.00 0.00 0.00 -0.09 -3.05 0.00 0.00 177.26 174.12 3jrd h ARG 85 N 1.61 0.00 -0.06 1.20 2.43 -1.92 -2.23 114.38 115.41 3jrd h ARG 85 Ca -0.35 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 58.70 3jrd h ARG 85 Cb 1.43 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.99 3jrd h ARG 85 CO 0.59 0.00 -0.43 0.78 -1.51 0.00 0.00 179.97 179.41 3jrd h GLY 86 N 0.52 0.44 1.00 2.80 0.00 -1.98 -2.33 103.07 103.51 3jrd h GLY 86 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 47.33 46.68 3jrd h GLY 86 CO 0.00 0.58 0.39 -0.84 0.00 0.00 0.00 176.54 176.67 3jrd h THR 87 N -0.09 1.16 -0.66 4.70 2.02 -1.78 -1.19 112.91 117.07 3jrd h THR 87 Ca -0.04 -0.32 0.00 0.00 0.77 0.00 0.00 66.41 66.82 3jrd h THR 87 Cb 1.10 0.29 -0.03 0.00 -1.74 0.00 0.00 68.15 67.77 3jrd h THR 87 CO 0.09 0.16 0.42 0.25 0.37 0.00 0.00 175.52 176.81 3jrd h LEU 88 N 0.82 0.78 -0.97 2.58 5.85 -1.48 0.41 115.31 123.31 3jrd h LEU 88 Ca 0.22 -0.04 -0.08 0.00 0.84 0.00 0.00 57.88 58.82 3jrd h LEU 88 Cb -0.07 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.75 3jrd h LEU 88 CO -0.05 0.58 -0.12 -0.09 -0.34 0.00 0.00 178.44 178.43 3jrd h ARG 89 N 0.90 0.61 -0.20 1.25 2.43 -1.00 -0.27 114.38 118.11 3jrd h ARG 89 Ca 0.24 -0.19 -0.07 0.00 -0.81 0.00 0.00 59.98 59.15 3jrd h ARG 89 Cb -0.07 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.42 3jrd h ARG 89 CO -0.05 0.72 -0.14 -0.22 -1.51 0.00 0.00 179.97 178.77 3jrd h LYS 90 N 0.56 0.45 -0.75 0.20 3.64 0.09 -1.84 116.57 118.92 3jrd h LYS 90 Ca 0.10 -0.21 -0.02 0.00 -1.27 0.00 0.00 60.65 59.24 3jrd h LYS 90 Cb 0.54 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.32 3jrd h LYS 90 CO 0.03 0.76 0.38 0.87 -2.27 0.00 0.00 179.45 179.23 3jrd h LYS 91 N 0.14 1.07 -0.62 1.90 1.57 0.04 -1.61 116.57 119.06 3jrd h LYS 91 Ca 0.04 -0.15 -0.03 0.00 -1.87 0.00 0.00 60.65 58.65 3jrd h LYS 91 Cb 0.65 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.73 3jrd h LYS 91 CO 0.04 0.82 0.29 -0.07 -0.57 0.00 0.00 179.45 179.96 3jrd h LEU 92 N 1.05 0.82 0.02 2.94 3.38 -0.93 -2.58 115.31 120.02 3jrd h LEU 92 Ca 0.26 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3jrd h LEU 92 Cb 0.09 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 3jrd h LEU 92 CO -0.04 0.73 -0.03 0.50 0.09 0.00 0.00 178.44 179.69 3jrd h LYS 93 N 0.85 -0.07 -0.84 1.13 3.64 -1.12 -0.59 116.57 119.58 3jrd h LYS 93 Ca 0.21 0.00 0.33 0.00 -1.27 0.00 0.00 60.65 59.93 3jrd h LYS 93 Cb 0.13 0.02 -0.15 0.00 -0.41 0.00 0.00 32.23 31.82 3jrd h LYS 93 CO -0.03 -0.04 0.39 1.17 -2.27 0.00 0.00 179.45 178.67 3jrd n LYS 94 N -5.13 -0.05 -0.30 1.90 4.81 -0.62 -0.15 118.16 118.60 3jrd n LYS 94 Ca -0.07 1.17 0.07 0.00 -0.87 0.00 0.00 58.31 58.61 3jrd n LYS 94 Cb 0.07 -2.06 0.21 0.00 0.02 0.00 0.00 35.03 33.27 3jrd n LYS 94 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3jrd n TYR 95 N -4.94 0.72 -3.66 5.64 4.01 -1.08 -5.00 117.16 112.86 3jrd n TYR 95 Ca 0.30 -0.61 -0.23 0.00 -0.16 0.00 0.00 57.90 57.20 3jrd n TYR 95 Cb 1.01 -0.13 0.01 0.00 -0.31 0.00 0.00 39.34 39.92 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 0.35 -1.22 2.74 2.72 0.00 0.79 -4.92 105.19 105.65 3jrd n GLY 96 Ca 0.16 0.53 -0.34 0.00 0.00 0.00 0.00 46.02 46.37 3jrd n GLY 96 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3jrd n MET 97 N -2.88 3.64 0.00 1.61 2.81 -0.27 -5.02 117.12 117.00 3jrd n MET 97 Ca -0.21 -4.30 0.00 0.00 -1.81 0.00 0.00 57.70 51.38 3jrd n MET 97 Cb 0.63 -2.30 0.00 0.00 -0.71 0.00 0.00 33.22 30.84 3jrd n MET 97 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75