#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jrg s ASP 9 N 0.00 -0.39 0.01 -3.46 2.15 -1.26 -5.10 116.67 108.62 3jrg s ASP 9 Ca 0.00 0.94 -0.12 0.00 0.43 0.00 0.00 52.55 53.80 3jrg s ASP 9 Cb 0.00 1.02 -0.33 0.00 -0.30 0.00 0.00 42.92 43.31 3jrg s ASP 9 CO 0.00 -0.21 0.89 -0.37 -0.17 0.00 0.00 175.17 175.31 3jrg h VAL 10 N 5.81 1.18 -3.17 1.11 -1.51 -2.05 -3.42 116.25 114.19 3jrg h VAL 10 Ca -0.27 -2.69 -0.75 0.00 -1.23 0.00 0.00 66.70 61.76 3jrg h VAL 10 Cb 1.15 2.92 -0.23 0.00 -2.13 0.00 0.00 31.29 33.00 3jrg h VAL 10 CO 0.22 0.84 -0.24 -0.76 -1.23 0.00 0.00 177.57 176.39 3jrg s LEU 11 N -7.39 5.88 0.06 4.19 1.43 -1.26 -5.03 118.68 116.55 3jrg s LEU 11 Ca -0.11 -1.55 -0.04 0.00 -1.03 0.00 0.00 54.13 51.40 3jrg s LEU 11 Cb 0.05 -2.21 -0.02 0.00 0.03 0.00 0.00 46.19 44.04 3jrg s LEU 11 CO 0.90 -0.79 0.06 0.42 0.23 0.00 0.00 176.35 177.17 3jrg s THR 12 N 1.71 0.18 0.10 5.49 -4.23 -1.26 -1.65 115.64 115.97 3jrg s THR 12 Ca 0.04 -1.47 0.06 0.00 -1.18 0.00 0.00 61.69 59.14 3jrg s THR 12 Cb -0.27 -1.32 -0.03 0.00 1.34 0.00 0.00 72.50 72.22 3jrg s THR 12 CO 0.05 -0.81 -0.15 0.68 -0.54 0.00 0.00 174.62 173.85 3jrg s VAL 13 N -3.61 1.29 0.00 2.29 -7.23 0.23 -4.84 120.40 108.54 3jrg s VAL 13 Ca 0.04 -1.52 -0.29 0.00 -1.81 0.00 0.00 61.98 58.40 3jrg s VAL 13 Cb 0.05 -1.34 -0.03 0.00 0.56 0.00 0.00 36.38 35.62 3jrg s VAL 13 CO -0.09 -0.29 0.93 -0.44 -0.31 0.00 0.00 175.10 174.91 3jrg s SER 14 N -2.08 7.33 0.35 4.85 0.01 -1.26 -1.84 113.70 121.06 3jrg s SER 14 Ca 0.04 1.60 0.09 0.00 1.31 0.00 0.00 55.95 59.00 3jrg s SER 14 Cb -0.08 -2.55 -0.06 0.00 0.21 0.00 0.00 66.02 63.54 3jrg s SER 14 CO 0.03 -0.21 -0.08 0.42 0.41 0.00 0.00 173.24 173.81 3jrg s THR 15 N 0.84 2.26 -0.02 1.44 -4.23 -0.09 -4.95 115.64 110.89 3jrg s THR 15 Ca 0.49 -2.17 0.01 0.00 -1.18 0.00 0.00 61.69 58.84 3jrg s THR 15 Cb -0.21 -2.69 0.02 0.00 1.34 0.00 0.00 72.50 70.96 3jrg s THR 15 CO 0.27 -0.19 -0.01 0.68 -0.54 0.00 0.00 174.62 174.84 3jrg s VAL 16 N -2.61 0.18 0.49 2.29 -7.23 -1.26 -1.15 120.40 111.11 3jrg s VAL 16 Ca 0.33 0.03 0.02 0.00 -1.81 0.00 0.00 61.98 60.54 3jrg s VAL 16 Cb 0.03 -0.24 0.01 0.00 0.56 0.00 0.00 36.38 36.74 3jrg s VAL 16 CO 0.17 0.12 0.70 0.54 -0.31 0.00 0.00 175.10 176.32 3jrg s ASN 17 N 0.70 5.57 0.51 4.85 2.20 -0.98 -4.96 114.94 122.82 3jrg s ASN 17 Ca -0.07 0.08 0.35 0.00 -0.94 0.00 0.00 52.86 52.28 3jrg s ASN 17 Cb -0.10 -1.16 1.49 0.00 -2.00 0.00 0.00 41.25 39.49 3jrg s ASN 17 CO -0.01 -0.89 1.73 0.77 -2.94 0.00 0.00 177.10 175.76 3jrg h SER 18 N 0.29 0.11 -0.23 3.54 4.64 -2.02 0.14 113.55 120.02 3jrg h SER 18 Ca -0.44 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 3jrg h SER 18 Cb 1.27 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 3jrg h SER 18 CO 0.54 -0.01 0.00 1.67 -0.87 0.00 0.00 176.83 178.16 3jrg n GLN 19 N -4.29 2.28 -1.31 4.77 7.27 -1.26 -4.89 117.38 119.95 3jrg n GLN 19 Ca 0.31 -1.14 -0.11 0.00 0.07 0.00 0.00 57.00 56.13 3jrg n GLN 19 Cb 1.36 -1.65 -0.05 0.00 2.41 0.00 0.00 30.24 32.31 3jrg n GLN 19 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 3jrg n ASP 20 N 0.25 -4.85 -4.63 1.69 10.43 0.48 -4.98 116.55 114.93 3jrg n ASP 20 Ca 0.10 0.26 -0.40 0.00 2.57 0.00 0.00 54.79 57.33 3jrg n ASP 20 Cb 0.52 -3.29 -0.07 0.00 1.84 0.00 0.00 41.12 40.12 3jrg n ASP 20 CO 0.00 0.00 0.00 -1.10 -1.07 0.00 0.00 177.20 175.03 3jrg s GLN 21 N -2.74 4.12 0.42 -1.24 -0.21 -1.25 -4.89 119.66 113.87 3jrg s GLN 21 Ca 0.00 0.42 -0.23 0.00 0.02 0.00 0.00 55.36 55.57 3jrg s GLN 21 Cb 0.00 -3.62 -0.09 0.00 1.00 0.00 0.00 33.01 30.29 3jrg s GLN 21 CO 0.00 -0.31 1.01 0.08 -2.12 0.00 0.00 175.29 173.96 3jrg s VAL 22 N 2.16 3.92 -0.28 1.09 1.01 -1.26 -2.33 120.40 124.71 3jrg s VAL 22 Ca 0.24 1.36 -0.21 0.00 0.00 0.00 0.00 61.98 63.37 3jrg s VAL 22 Cb -0.16 -3.65 0.12 0.00 0.00 0.00 0.00 36.38 32.69 3jrg s VAL 22 CO 0.09 -0.10 0.92 0.28 0.00 0.00 0.00 175.10 176.29 3jrg s THR 23 N -1.83 0.00 0.42 3.92 -1.32 -0.30 -4.97 115.64 111.56 3jrg s THR 23 Ca 0.60 0.00 -0.22 0.00 -1.21 0.00 0.00 61.69 60.86 3jrg s THR 23 Cb -0.18 -1.00 -0.10 0.00 -1.51 0.00 0.00 72.50 69.71 3jrg s THR 23 CO 0.22 0.00 0.97 -1.10 -2.21 0.00 0.00 174.62 172.50 3jrg s GLN 24 N 0.84 4.20 0.03 7.08 -1.52 -1.26 -0.92 119.66 128.11 3jrg s GLN 24 Ca -0.03 1.20 -0.06 0.00 -1.95 0.00 0.00 55.36 54.52 3jrg s GLN 24 Cb -0.05 -2.26 -0.01 0.00 -0.22 0.00 0.00 33.01 30.48 3jrg s GLN 24 CO -0.10 -0.06 0.12 -1.59 -0.25 0.00 0.00 175.29 173.40 3jrg s LYS 25 N -3.02 0.56 0.52 2.91 -2.85 -0.76 -4.92 119.74 112.19 3jrg s LYS 25 Ca 0.61 -0.62 -0.20 0.00 -1.00 0.00 0.00 55.97 54.76 3jrg s LYS 25 Cb -0.12 0.22 -0.06 0.00 -2.06 0.00 0.00 37.83 35.81 3jrg s LYS 25 CO 0.16 -0.14 1.12 -1.25 0.10 0.00 0.00 175.35 175.35 3jrg s PRO 26 N -2.17 3.46 0.30 1.78 0.04 -1.26 -0.60 135.00 136.55 3jrg s PRO 26 Ca -0.09 1.61 0.02 0.00 0.04 0.00 0.00 61.00 62.58 3jrg s PRO 26 Cb -0.04 -2.08 0.58 0.00 0.04 0.00 0.00 34.50 33.01 3jrg s PRO 26 CO -0.02 -0.76 1.88 1.25 0.04 0.00 0.00 177.00 179.39 3jrg h LEU 27 N 1.37 0.88 -1.26 -3.56 5.85 -1.64 -2.34 115.31 114.60 3jrg h LEU 27 Ca -0.50 0.03 0.12 0.00 0.84 0.00 0.00 57.88 58.37 3jrg h LEU 27 Cb 1.26 -0.16 -0.07 0.00 0.37 0.00 0.00 40.66 42.06 3jrg h LEU 27 CO 0.58 0.52 0.56 0.08 -0.34 0.00 0.00 178.44 179.84 3jrg h ARG 28 N 0.97 0.74 -0.63 1.25 0.11 -1.91 0.12 114.38 115.04 3jrg h ARG 28 Ca 0.44 -0.04 0.07 0.00 0.10 0.00 0.00 59.98 60.54 3jrg h ARG 28 Cb 0.38 -0.17 -0.04 0.00 1.11 0.00 0.00 29.97 31.26 3jrg h ARG 28 CO -0.20 0.49 0.42 -0.44 0.10 0.00 0.00 179.97 180.34 3jrg h ASP 29 N 0.77 0.52 0.09 0.08 3.45 -1.79 0.63 116.42 120.17 3jrg h ASP 29 Ca 0.42 0.00 -0.25 0.00 0.43 0.00 0.00 57.03 57.64 3jrg h ASP 29 Cb 0.56 -0.11 0.01 0.00 -0.56 0.00 0.00 39.33 39.24 3jrg h ASP 29 CO -0.19 0.34 -0.96 0.28 -1.57 0.00 0.00 179.24 177.14 3jrg h SER 30 N 0.59 0.79 -0.77 6.45 0.02 -0.91 -1.98 113.55 117.75 3jrg h SER 30 Ca 0.28 -0.61 -0.03 0.00 -0.84 0.00 0.00 61.79 60.59 3jrg h SER 30 Cb 0.32 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.58 3jrg h SER 30 CO -0.08 1.41 0.37 0.58 -1.14 0.00 0.00 176.83 177.97 3jrg h VAL 31 N 0.37 1.24 -0.58 2.27 2.07 -0.71 -0.52 116.25 120.39 3jrg h VAL 31 Ca -0.10 -0.69 -0.05 0.00 0.82 0.00 0.00 66.70 66.68 3jrg h VAL 31 Cb 1.60 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.63 3jrg h VAL 31 CO 0.18 0.29 0.15 0.50 0.02 0.00 0.00 177.57 178.71 3jrg h LYS 32 N 1.08 0.92 -0.17 1.57 3.64 -0.87 -2.69 116.57 120.05 3jrg h LYS 32 Ca 0.26 -0.22 -0.00 0.00 -1.27 0.00 0.00 60.65 59.42 3jrg h LYS 32 Cb 0.12 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 3jrg h LYS 32 CO -0.03 0.85 0.09 0.37 -2.27 0.00 0.00 179.45 178.46 3jrg h GLN 33 N 0.83 0.24 -0.82 1.90 4.15 -1.05 -0.49 115.11 119.88 3jrg h GLN 33 Ca 0.18 -0.03 0.20 0.00 0.77 0.00 0.00 58.65 59.77 3jrg h GLN 33 Cb 0.34 -0.05 -0.13 0.00 0.21 0.00 0.00 27.48 27.85 3jrg h GLN 33 CO 0.00 0.25 0.22 0.00 -1.93 0.00 0.00 178.83 177.36 3jrg h ALA 34 N 0.98 1.13 0.07 3.38 0.00 -0.88 0.40 119.26 124.35 3jrg h ALA 34 Ca 0.06 0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 3jrg h ALA 34 Cb 0.08 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3jrg h ALA 34 CO -0.01 -0.39 -0.03 -0.07 0.00 0.00 0.00 179.25 178.74 3jrg h LEU 35 N 0.25 -0.08 -0.69 0.00 3.38 -1.28 -0.18 115.31 116.72 3jrg h LEU 35 Ca 0.49 -0.54 0.15 0.00 0.09 0.00 0.00 57.88 58.08 3jrg h LEU 35 Cb 0.92 0.02 -0.13 0.00 0.09 0.00 0.00 40.66 41.56 3jrg h LEU 35 CO -0.59 0.61 -0.11 0.29 0.09 0.00 0.00 178.44 178.73 3jrg n LYS 36 N -4.79 -0.06 0.22 1.13 4.76 -0.21 -0.20 118.16 119.01 3jrg n LYS 36 Ca -0.08 1.06 -0.13 0.00 -2.87 0.00 0.00 58.31 56.30 3jrg n LYS 36 Cb 0.30 -1.61 -0.07 0.00 -1.84 0.00 0.00 35.03 31.81 3jrg n LYS 36 CO 0.00 0.00 0.00 -0.97 -1.37 0.00 0.00 177.40 175.06 3jrg h ASN 37 N 0.00 -0.51 -0.68 4.39 -1.24 -0.90 -2.77 115.58 113.87 3jrg h ASN 37 Ca 0.36 -0.09 0.13 0.00 0.71 0.00 0.00 56.30 57.41 3jrg h ASN 37 Cb 0.62 0.13 -0.13 0.00 0.73 0.00 0.00 38.32 39.67 3jrg h ASN 37 CO -0.69 -0.11 -0.23 0.22 -1.29 0.00 0.00 177.43 175.33 3jrg h TYR 38 N -1.01 -0.57 -0.31 0.67 3.20 0.13 -0.03 116.97 119.05 3jrg h TYR 38 Ca -0.06 0.07 -0.00 0.00 3.14 0.00 0.00 58.73 61.87 3jrg h TYR 38 Cb 0.57 0.36 -0.01 0.00 1.54 0.00 0.00 36.73 39.18 3jrg h TYR 38 CO 0.02 -0.33 0.18 0.74 -1.64 0.00 0.00 178.16 177.12 3jrg h PHE 39 N -0.05 0.42 -0.64 -3.82 0.05 -0.85 -3.01 116.94 109.05 3jrg h PHE 39 Ca 0.31 -0.01 0.13 0.00 3.82 0.00 0.00 57.97 62.23 3jrg h PHE 39 Cb 0.54 -0.14 -0.11 0.00 2.00 0.00 0.00 35.95 38.24 3jrg h PHE 39 CO -0.60 0.32 -0.01 0.00 -0.18 0.00 0.00 178.31 177.85 3jrg h ALA 40 N 1.06 0.62 -0.22 2.45 0.00 -0.71 -2.49 119.26 119.97 3jrg h ALA 40 Ca 0.11 0.20 -0.16 0.00 0.00 0.00 0.00 54.91 55.06 3jrg h ALA 40 Cb 0.04 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3jrg h ALA 40 CO -0.02 -0.40 -0.51 1.96 0.00 0.00 0.00 179.25 180.28 3jrg h GLN 41 N 0.11 0.61 -6.60 0.00 4.20 -1.33 -3.42 115.11 108.68 3jrg h GLN 41 Ca 0.33 -0.37 -0.52 0.00 0.06 0.00 0.00 58.65 58.15 3jrg h GLN 41 Cb 0.54 0.03 0.05 0.00 0.30 0.00 0.00 27.48 28.41 3jrg h GLN 41 CO -0.55 0.98 0.97 -0.51 -0.67 0.00 0.00 178.83 179.05 3jrg s LEU 42 N -8.44 4.37 -0.99 1.46 1.43 -0.94 -4.93 118.68 110.64 3jrg s LEU 42 Ca -0.08 2.73 -0.03 0.00 -1.03 0.00 0.00 54.13 55.72 3jrg s LEU 42 Cb 0.11 -3.59 0.28 0.00 0.03 0.00 0.00 46.19 43.03 3jrg s LEU 42 CO 0.85 -0.91 1.20 0.59 0.23 0.00 0.00 176.35 178.31 3jrg n ASN 43 N 4.33 5.54 -0.58 2.29 5.03 -1.26 -4.67 115.26 125.94 3jrg n ASN 43 Ca 0.15 -3.31 -0.08 0.00 0.87 0.00 0.00 54.58 52.21 3jrg n ASN 43 Cb 0.37 -1.16 -0.03 0.00 -1.02 0.00 0.00 39.78 37.94 3jrg n ASN 43 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3jrg n GLY 44 N 1.62 0.96 3.78 7.41 0.00 -1.26 -5.00 105.19 112.70 3jrg n GLY 44 Ca 0.26 -0.61 -0.37 0.00 0.00 0.00 0.00 46.02 45.30 3jrg n GLY 44 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3jrg s GLN 45 N -2.54 4.40 0.30 1.61 -0.21 -1.26 -4.97 119.66 116.99 3jrg s GLN 45 Ca 0.00 1.42 -0.29 0.00 0.02 0.00 0.00 55.36 56.50 3jrg s GLN 45 Cb 0.00 -2.68 -0.13 0.00 1.00 0.00 0.00 33.01 31.20 3jrg s GLN 45 CO 0.00 0.09 1.29 -0.25 -2.12 0.00 0.00 175.29 174.31 3jrg n ASP 46 N 0.28 2.55 -4.23 5.90 9.92 -1.26 -4.99 116.55 124.71 3jrg n ASP 46 Ca 0.03 1.18 -0.36 0.00 -0.53 0.00 0.00 54.79 55.11 3jrg n ASP 46 Cb 0.50 -1.43 -0.13 0.00 -0.64 0.00 0.00 41.12 39.41 3jrg n ASP 46 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 3jrg s VAL 47 N -0.70 3.41 -0.20 2.53 1.01 -1.26 -5.03 120.40 120.16 3jrg s VAL 47 Ca 0.61 -1.17 -0.15 0.00 0.00 0.00 0.00 61.98 61.26 3jrg s VAL 47 Cb -0.62 -2.90 -0.20 0.00 0.00 0.00 0.00 36.38 32.66 3jrg s VAL 47 CO 0.57 -0.09 0.14 -3.20 0.00 0.00 0.00 175.10 172.53 3jrg n ASN 48 N 4.73 1.95 -3.20 3.32 4.05 -1.26 -4.75 115.26 120.10 3jrg n ASN 48 Ca -0.13 0.32 -0.23 0.00 0.45 0.00 0.00 54.58 54.98 3jrg n ASN 48 Cb 0.45 -0.88 -0.06 0.00 1.23 0.00 0.00 39.78 40.52 3jrg n ASN 48 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 177.26 174.68 3jrg n ASP 49 N -4.08 1.46 0.15 1.20 9.92 -1.26 -4.94 116.55 119.01 3jrg n ASP 49 Ca -0.36 -3.03 0.02 0.00 -0.53 0.00 0.00 54.79 50.89 3jrg n ASP 49 Cb 0.83 -0.63 0.21 0.00 -0.64 0.00 0.00 41.12 40.89 3jrg n ASP 49 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 3jrg h LEU 50 N 3.62 0.00 0.37 0.64 5.85 -2.00 -2.79 115.31 121.01 3jrg h LEU 50 Ca 0.11 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 3jrg h LEU 50 Cb 0.83 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.86 3jrg h LEU 50 CO 0.58 0.53 -0.18 0.22 -0.34 0.00 0.00 178.44 179.25 3jrg h TYR 51 N 0.00 -0.46 -0.30 1.25 3.20 -2.00 -1.74 116.97 116.92 3jrg h TYR 51 Ca -0.01 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 61.94 3jrg h TYR 51 Cb 1.09 0.15 -0.01 0.00 1.54 0.00 0.00 36.73 39.50 3jrg h TYR 51 CO 0.00 -0.13 0.24 1.49 -1.64 0.00 0.00 178.16 178.12 3jrg h GLU 52 N -0.91 0.00 0.79 1.82 4.57 -1.99 0.13 114.58 118.99 3jrg h GLU 52 Ca -0.05 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.09 3jrg h GLU 52 Cb 0.54 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.14 3jrg h GLU 52 CO 0.08 0.00 -0.38 1.25 -1.18 0.00 0.00 179.01 178.78 3jrg h LEU 53 N 0.00 -0.90 -0.71 1.64 5.85 -1.31 -1.19 115.31 118.70 3jrg h LEU 53 Ca 0.14 0.03 -0.09 0.00 0.84 0.00 0.00 57.88 58.80 3jrg h LEU 53 Cb 0.62 0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.86 3jrg h LEU 53 CO -0.00 -0.53 -0.01 0.58 -0.34 0.00 0.00 178.44 178.14 3jrg h VAL 54 N -1.28 1.26 -0.18 1.05 2.07 -0.74 -1.56 116.25 116.87 3jrg h VAL 54 Ca -0.11 -1.13 0.05 0.00 0.82 0.00 0.00 66.70 66.34 3jrg h VAL 54 Cb 0.82 0.83 -0.06 0.00 -1.52 0.00 0.00 31.29 31.36 3jrg h VAL 54 CO 0.18 0.41 -0.18 0.25 0.02 0.00 0.00 177.57 178.24 3jrg h LEU 55 N 0.91 -0.57 -1.49 2.57 5.85 -0.85 -1.75 115.31 119.97 3jrg h LEU 55 Ca 0.16 0.11 0.09 0.00 0.84 0.00 0.00 57.88 59.09 3jrg h LEU 55 Cb 0.54 0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.80 3jrg h LEU 55 CO 0.03 -0.23 0.46 0.00 -0.34 0.00 0.00 178.44 178.36 3jrg h ALA 56 N 0.87 1.88 0.00 1.25 0.00 -0.65 0.10 119.26 122.71 3jrg h ALA 56 Ca 0.11 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3jrg h ALA 56 Cb 0.38 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 3jrg h ALA 56 CO -0.30 -0.02 -0.03 1.49 0.00 0.00 0.00 179.25 180.38 3jrg h GLU 57 N 0.58 0.00 0.00 0.00 4.57 -0.53 -3.27 114.58 115.93 3jrg h GLU 57 Ca 0.32 0.00 -0.38 0.00 -1.18 0.00 0.00 59.36 58.12 3jrg h GLU 57 Cb 0.48 0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 29.00 3jrg h GLU 57 CO -0.11 0.03 -2.41 0.28 -1.18 0.00 0.00 179.01 175.62 3jrg n VAL 58 N -3.11 1.47 0.02 0.32 0.31 -0.45 -4.45 118.33 112.44 3jrg n VAL 58 Ca 0.03 -0.69 -0.03 0.00 -0.01 0.00 0.00 64.34 63.64 3jrg n VAL 58 Cb 0.48 -1.06 0.20 0.00 -0.91 0.00 0.00 33.84 32.55 3jrg n VAL 58 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3jrg h GLU 59 N 0.00 0.46 -0.03 5.55 5.08 -0.97 -2.48 114.58 122.20 3jrg h GLU 59 Ca -0.56 -0.18 -0.00 0.00 -1.00 0.00 0.00 59.36 57.62 3jrg h GLU 59 Cb 2.04 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 31.26 3jrg h GLU 59 CO -0.04 0.70 0.01 1.96 -1.00 0.00 0.00 179.01 180.64 3jrg h GLN 60 N 0.41 0.05 -0.79 2.33 4.20 -1.79 0.21 115.11 119.72 3jrg h GLN 60 Ca 0.06 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.75 3jrg h GLN 60 Cb 0.69 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.43 3jrg h GLN 60 CO 0.05 0.24 0.48 -1.35 -0.67 0.00 0.00 178.83 177.58 3jrg h PRO 61 N -0.16 1.08 -0.25 1.46 0.11 -1.77 -0.56 132.00 131.90 3jrg h PRO 61 Ca 0.01 -0.10 -0.02 0.00 0.11 0.00 0.00 66.00 66.00 3jrg h PRO 61 Cb 0.22 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.09 3jrg h PRO 61 CO -0.00 0.76 0.10 1.25 -0.21 0.00 0.00 178.00 179.90 3jrg h LEU 62 N 1.09 0.35 0.53 2.35 5.85 -1.26 -0.07 115.31 124.15 3jrg h LEU 62 Ca 0.28 -0.17 -0.03 0.00 0.84 0.00 0.00 57.88 58.81 3jrg h LEU 62 Cb -0.04 -0.09 0.01 0.00 0.37 0.00 0.00 40.66 40.91 3jrg h LEU 62 CO -0.05 0.43 -0.26 -0.07 -0.34 0.00 0.00 178.44 178.15 3jrg h LEU 63 N 0.26 -0.61 -0.76 2.25 3.38 -0.58 -2.32 115.31 116.93 3jrg h LEU 63 Ca 0.08 -0.04 0.18 0.00 0.09 0.00 0.00 57.88 58.19 3jrg h LEU 63 Cb 0.19 0.16 -0.13 0.00 0.09 0.00 0.00 40.66 40.96 3jrg h LEU 63 CO -0.01 -0.32 0.03 -0.78 0.09 0.00 0.00 178.44 177.45 3jrg h ASP 64 N -0.88 -0.31 -0.28 -0.43 -0.00 -1.01 -1.67 116.42 111.84 3jrg h ASP 64 Ca -0.07 0.19 -0.17 0.00 -0.00 0.00 0.00 57.03 56.99 3jrg h ASP 64 Cb 0.61 0.33 -0.00 0.00 -0.00 0.00 0.00 39.33 40.27 3jrg h ASP 64 CO 0.12 -0.17 -0.47 0.24 -0.00 0.00 0.00 179.24 178.96 3jrg h MET 65 N 0.12 0.81 -0.07 0.28 2.86 -0.92 -2.67 114.93 115.34 3jrg h MET 65 Ca 0.42 -0.50 -0.11 0.00 -2.06 0.00 0.00 59.70 57.45 3jrg h MET 65 Cb 0.75 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.45 3jrg h MET 65 CO -0.66 1.13 -0.47 -0.39 1.06 0.00 0.00 176.91 177.58 3jrg h VAL 66 N 0.58 1.34 0.00 -2.22 -1.51 -0.96 -1.46 116.25 112.02 3jrg h VAL 66 Ca 0.02 -1.66 0.00 0.00 -1.23 0.00 0.00 66.70 63.83 3jrg h VAL 66 Cb 1.07 1.81 0.00 0.00 -2.13 0.00 0.00 31.29 32.04 3jrg h VAL 66 CO 0.11 0.49 0.00 0.24 -1.23 0.00 0.00 177.57 177.18 3jrg h MET 67 N 0.15 0.00 0.05 5.19 2.86 -1.25 0.66 114.93 122.59 3jrg h MET 67 Ca 0.01 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.57 3jrg h MET 67 Cb 0.89 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.56 3jrg h MET 67 CO 0.07 0.00 -0.34 1.96 1.06 0.00 0.00 176.91 179.66 3jrg h GLN 68 N 0.00 0.14 -0.55 1.72 4.20 -1.11 0.33 115.11 119.84 3jrg h GLN 68 Ca 0.00 -0.22 -0.04 0.00 0.06 0.00 0.00 58.65 58.45 3jrg h GLN 68 Cb 0.59 0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.42 3jrg h GLN 68 CO 0.00 1.08 0.18 -0.92 -0.67 0.00 0.00 178.83 178.51 3jrg h TYR 69 N -0.69 0.87 -0.00 2.96 3.20 -0.80 -1.76 116.97 120.74 3jrg h TYR 69 Ca -0.06 -0.08 0.00 0.00 3.14 0.00 0.00 58.73 61.73 3jrg h TYR 69 Cb 1.24 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 39.26 3jrg h TYR 69 CO 0.23 0.73 0.00 0.25 -1.64 0.00 0.00 178.16 177.74 3jrg n THR 70 N -4.46 0.00 -3.43 1.81 -2.24 0.23 -4.93 114.28 101.26 3jrg n THR 70 Ca 0.02 -0.04 -0.17 0.00 -2.27 0.00 0.00 64.05 61.59 3jrg n THR 70 Cb 0.19 -0.33 0.09 0.00 -2.10 0.00 0.00 70.33 68.18 3jrg n THR 70 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3jrg n ARG 71 N -0.80 -6.65 -0.07 -0.78 3.00 -0.66 -1.81 116.66 108.89 3jrg n ARG 71 Ca 0.23 0.84 0.00 0.00 -0.00 0.00 0.00 57.85 58.92 3jrg n ARG 71 Cb 0.15 -5.84 0.00 0.00 0.00 0.00 0.00 32.46 26.76 3jrg n ARG 71 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3jrg n GLY 72 N -1.17 2.22 3.55 5.14 0.00 0.12 -4.95 105.19 110.10 3jrg n GLY 72 Ca -0.27 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.36 3jrg n GLY 72 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3jrg s ASN 73 N -3.50 5.35 0.22 1.61 3.84 -0.75 -4.85 114.94 116.86 3jrg s ASN 73 Ca 0.00 0.39 -0.09 0.00 0.21 0.00 0.00 52.86 53.38 3jrg s ASN 73 Cb 0.00 -2.53 0.22 0.00 -0.55 0.00 0.00 41.25 38.39 3jrg s ASN 73 CO 0.00 -2.30 1.87 1.56 -2.79 0.00 0.00 177.10 175.43 3jrg h GLN 74 N 14.63 0.96 0.08 0.43 4.20 -1.92 -2.97 115.11 130.52 3jrg h GLN 74 Ca -0.27 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.38 3jrg h GLN 74 Cb 1.16 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 28.72 3jrg h GLN 74 CO 1.20 0.64 -0.04 1.15 -0.67 0.00 0.00 178.83 181.11 3jrg h THR 75 N 0.99 0.97 -0.29 -0.54 2.02 -1.95 -2.48 112.91 111.64 3jrg h THR 75 Ca 0.31 -0.16 -0.03 0.00 0.77 0.00 0.00 66.41 67.30 3jrg h THR 75 Cb -0.00 1.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.47 3jrg h THR 75 CO -0.11 0.04 0.05 0.03 0.37 0.00 0.00 175.52 175.91 3jrg h ARG 76 N -0.18 0.48 -0.67 6.66 3.08 -1.94 -3.00 114.38 118.81 3jrg h ARG 76 Ca -0.01 -0.12 0.14 0.00 0.07 0.00 0.00 59.98 60.05 3jrg h ARG 76 Cb 0.15 -0.06 -0.10 0.00 0.08 0.00 0.00 29.97 30.03 3jrg h ARG 76 CO 0.02 0.58 0.09 0.00 -1.07 0.00 0.00 179.97 179.59 3jrg h ALA 77 N 0.88 0.77 -0.82 0.04 0.00 -1.44 0.11 119.26 118.79 3jrg h ALA 77 Ca 0.09 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 3jrg h ALA 77 Cb 0.33 0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 3jrg h ALA 77 CO 0.00 -0.36 0.48 0.00 0.00 0.00 0.00 179.25 179.38 3jrg h ALA 78 N 1.57 1.05 0.00 0.00 0.00 -1.31 0.25 119.26 120.81 3jrg h ALA 78 Ca 0.36 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 55.06 3jrg h ALA 78 Cb 0.60 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3jrg h ALA 78 CO -0.51 0.53 -0.51 -0.07 0.00 0.00 0.00 179.25 178.69 3jrg h LEU 79 N 1.13 0.00 0.10 0.00 3.38 -1.17 0.22 115.31 118.97 3jrg h LEU 79 Ca 0.29 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.26 3jrg h LEU 79 Cb -0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.73 3jrg h LEU 79 CO -0.05 0.51 -0.05 -0.03 0.09 0.00 0.00 178.44 178.92 3jrg h MET 80 N 0.00 -0.12 -0.25 1.13 4.05 -0.06 -3.24 114.93 116.44 3jrg h MET 80 Ca -0.01 0.01 -0.05 0.00 -0.28 0.00 0.00 59.70 59.38 3jrg h MET 80 Cb 0.93 0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.74 3jrg h MET 80 CO 0.07 0.40 -0.05 0.52 0.23 0.00 0.00 176.91 178.07 3jrg h MET 81 N -0.78 0.38 0.00 0.39 2.86 -0.54 -3.47 114.93 113.76 3jrg h MET 81 Ca -0.01 -0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.55 3jrg h MET 81 Cb 0.58 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.18 3jrg h MET 81 CO 0.02 0.45 0.00 0.41 1.06 0.00 0.00 176.91 178.85 3jrg n GLY 82 N -0.91 1.19 3.41 8.32 0.00 0.63 -5.08 105.19 112.74 3jrg n GLY 82 Ca 0.00 -0.43 -0.24 0.00 0.00 0.00 0.00 46.02 45.36 3jrg n GLY 82 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3jrg s ILE 83 N -2.00 2.18 0.23 -0.61 -4.36 -0.35 -5.02 121.20 111.28 3jrg s ILE 83 Ca 0.00 -2.15 -0.30 0.00 -0.26 0.00 0.00 60.65 57.94 3jrg s ILE 83 Cb 0.00 -2.10 -0.10 0.00 1.25 0.00 0.00 42.46 41.51 3jrg s ILE 83 CO 0.00 -0.32 1.46 0.21 0.24 0.00 0.00 174.94 176.53 3jrg s ASN 84 N -3.03 6.64 0.37 4.36 3.04 -1.26 -4.24 114.94 120.83 3jrg s ASN 84 Ca 0.23 2.65 0.21 0.00 0.04 0.00 0.00 52.86 55.98 3jrg s ASN 84 Cb -0.05 -2.62 1.33 0.00 -1.54 0.00 0.00 41.25 38.37 3jrg s ASN 84 CO 0.10 -0.73 1.59 -0.09 -3.04 0.00 0.00 177.10 174.94 3jrg h ARG 85 N 5.43 0.03 -0.49 0.43 2.43 -1.91 0.30 114.38 120.60 3jrg h ARG 85 Ca -0.45 -0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 58.69 3jrg h ARG 85 Cb 1.21 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.74 3jrg h ARG 85 CO 0.81 0.02 0.19 0.78 -1.51 0.00 0.00 179.97 180.26 3jrg h GLY 86 N 0.04 0.79 0.57 2.80 0.00 -1.98 -2.82 103.07 102.46 3jrg h GLY 86 Ca 0.84 -0.43 0.04 0.00 0.00 0.00 0.00 47.33 47.78 3jrg h GLY 86 CO -0.74 0.40 -0.03 -0.84 0.00 0.00 0.00 176.54 175.34 3jrg h THR 87 N 0.65 0.79 -0.68 4.70 2.02 -0.77 -0.86 112.91 118.76 3jrg h THR 87 Ca 0.16 -0.01 0.14 0.00 0.77 0.00 0.00 66.41 67.48 3jrg h THR 87 Cb 0.20 0.75 -0.11 0.00 -1.74 0.00 0.00 68.15 67.25 3jrg h THR 87 CO -0.01 0.01 0.10 0.25 0.37 0.00 0.00 175.52 176.23 3jrg h LEU 88 N 0.03 -0.11 -0.36 2.58 5.85 -1.34 0.28 115.31 122.25 3jrg h LEU 88 Ca 0.12 0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.96 3jrg h LEU 88 Cb 0.16 0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 3jrg h LEU 88 CO -0.22 -0.07 0.13 0.03 -0.34 0.00 0.00 178.44 177.96 3jrg h ARG 89 N 0.20 0.54 -0.84 1.25 3.08 -1.18 -0.25 114.38 117.18 3jrg h ARG 89 Ca 0.37 -0.11 0.03 0.00 0.07 0.00 0.00 59.98 60.34 3jrg h ARG 89 Cb 0.62 -0.08 -0.05 0.00 0.08 0.00 0.00 29.97 30.54 3jrg h ARG 89 CO -0.52 0.55 0.55 -0.22 -1.07 0.00 0.00 179.97 179.26 3jrg h LYS 90 N 0.42 1.02 -0.10 0.04 3.11 0.43 -0.92 116.57 120.58 3jrg h LYS 90 Ca 0.12 -0.06 -0.24 0.00 -2.81 0.00 0.00 60.65 57.66 3jrg h LYS 90 Cb 0.22 -0.23 0.01 0.00 -1.00 0.00 0.00 32.23 31.24 3jrg h LYS 90 CO -0.01 0.68 -0.87 0.87 -2.81 0.00 0.00 179.45 177.31 3jrg h LYS 91 N 1.05 0.74 -0.56 1.90 1.57 -0.25 -1.95 116.57 119.08 3jrg h LYS 91 Ca 0.33 -0.67 0.05 0.00 -1.87 0.00 0.00 60.65 58.49 3jrg h LYS 91 Cb 0.01 0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.44 3jrg h LYS 91 CO -0.09 1.27 0.37 -0.07 -0.57 0.00 0.00 179.45 180.35 3jrg h LEU 92 N 0.48 0.49 -0.17 2.94 3.38 -0.58 -1.96 115.31 119.90 3jrg h LEU 92 Ca -0.08 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.83 3jrg h LEU 92 Cb 1.50 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 42.14 3jrg h LEU 92 CO 0.17 0.32 -0.14 0.50 0.09 0.00 0.00 178.44 179.39 3jrg h LYS 93 N 0.56 0.39 -0.91 1.13 1.63 -1.03 0.26 116.57 118.59 3jrg h LYS 93 Ca 0.24 -0.19 0.26 0.00 -0.85 0.00 0.00 60.65 60.10 3jrg h LYS 93 Cb 0.23 0.00 -0.16 0.00 -0.60 0.00 0.00 32.23 31.70 3jrg h LYS 93 CO -0.07 0.74 0.19 0.87 -3.45 0.00 0.00 179.45 177.73 3jrg h LYS 94 N 0.04 0.12 -0.04 1.90 1.57 -0.57 0.21 116.57 119.80 3jrg h LYS 94 Ca 0.03 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3jrg h LYS 94 Cb 0.66 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.94 3jrg h LYS 94 CO 0.04 0.08 0.00 0.66 -0.57 0.00 0.00 179.45 179.66 3jrg n TYR 95 N -5.31 0.01 -3.39 -1.35 4.01 -1.07 -4.98 117.16 105.07 3jrg n TYR 95 Ca 0.23 -0.01 -0.19 0.00 -0.16 0.00 0.00 57.90 57.78 3jrg n TYR 95 Cb 0.75 -0.00 0.07 0.00 -0.31 0.00 0.00 39.34 39.85 3jrg n TYR 95 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3jrg n GLY 96 N 1.30 -0.33 3.15 2.72 0.00 0.74 -4.97 105.19 107.80 3jrg n GLY 96 Ca 0.14 0.10 -0.39 0.00 0.00 0.00 0.00 46.02 45.87 3jrg n GLY 96 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3jrg s MET 97 N -5.80 2.87 0.00 1.61 0.23 0.67 -5.00 119.30 113.88 3jrg s MET 97 Ca 0.33 -2.61 0.00 0.00 -1.03 0.00 0.00 55.69 52.38 3jrg s MET 97 Cb -0.14 -3.90 0.00 0.00 -1.53 0.00 0.00 34.83 29.25 3jrg s MET 97 CO 0.64 -1.21 0.00 0.27 -2.03 0.00 0.00 175.02 172.69