#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jrb s ASP 9 N 0.00 4.68 0.15 6.43 1.01 -1.26 -5.01 116.67 122.67 3jrb s ASP 9 Ca 0.00 -0.16 0.17 0.00 0.71 0.00 0.00 52.55 53.27 3jrb s ASP 9 Cb 0.00 -1.75 -0.05 0.00 1.01 0.00 0.00 42.92 42.13 3jrb s ASP 9 CO 0.00 0.17 1.05 -0.37 0.21 0.00 0.00 175.17 176.23 3jrb h VAL 10 N 5.17 0.54 -3.40 -1.27 -1.51 -2.05 -3.43 116.25 110.29 3jrb h VAL 10 Ca -0.30 -1.93 -0.71 0.00 -1.23 0.00 0.00 66.70 62.53 3jrb h VAL 10 Cb 1.19 2.09 -0.32 0.00 -2.13 0.00 0.00 31.29 32.12 3jrb h VAL 10 CO 0.62 0.31 -0.48 -0.76 -1.23 0.00 0.00 177.57 176.03 3jrb s LEU 11 N -5.94 5.42 0.03 4.19 1.43 -1.26 -5.04 118.68 117.50 3jrb s LEU 11 Ca -0.00 -1.93 -0.06 0.00 -1.03 0.00 0.00 54.13 51.10 3jrb s LEU 11 Cb 0.08 -1.92 -0.01 0.00 0.03 0.00 0.00 46.19 44.38 3jrb s LEU 11 CO 0.79 -0.60 0.12 0.42 0.23 0.00 0.00 176.35 177.30 3jrb s THR 12 N 1.26 0.12 0.08 5.49 -4.23 -1.26 -1.66 115.64 115.43 3jrb s THR 12 Ca 0.06 -0.98 0.08 0.00 -1.18 0.00 0.00 61.69 59.68 3jrb s THR 12 Cb -0.24 -0.78 -0.03 0.00 1.34 0.00 0.00 72.50 72.78 3jrb s THR 12 CO -0.02 -0.54 -0.21 0.68 -0.54 0.00 0.00 174.62 173.99 3jrb s VAL 13 N -2.32 1.74 0.66 2.29 -7.23 -0.49 -4.87 120.40 110.18 3jrb s VAL 13 Ca -0.07 -1.41 -0.14 0.00 -1.81 0.00 0.00 61.98 58.54 3jrb s VAL 13 Cb -0.03 -1.55 -0.00 0.00 0.56 0.00 0.00 36.38 35.37 3jrb s VAL 13 CO -0.03 0.07 1.08 -0.44 -0.31 0.00 0.00 175.10 175.47 3jrb s SER 14 N -1.60 5.24 0.18 4.85 0.01 -1.26 -1.45 113.70 119.67 3jrb s SER 14 Ca 0.07 1.87 -0.08 0.00 1.31 0.00 0.00 55.95 59.12 3jrb s SER 14 Cb -0.10 -2.53 -0.01 0.00 0.21 0.00 0.00 66.02 63.59 3jrb s SER 14 CO 0.03 -1.54 0.27 0.42 0.41 0.00 0.00 173.24 172.84 3jrb s THR 15 N -2.55 0.05 -0.02 1.44 -4.23 0.78 -4.88 115.64 106.24 3jrb s THR 15 Ca 0.64 -1.51 0.01 0.00 -1.18 0.00 0.00 61.69 59.65 3jrb s THR 15 Cb -0.18 -1.98 0.02 0.00 1.34 0.00 0.00 72.50 71.70 3jrb s THR 15 CO 0.44 -0.24 -0.01 0.68 -0.54 0.00 0.00 174.62 174.95 3jrb s VAL 16 N -4.00 0.19 0.34 2.29 -7.23 -1.26 -1.70 120.40 109.04 3jrb s VAL 16 Ca 0.21 0.03 0.06 0.00 -1.81 0.00 0.00 61.98 60.48 3jrb s VAL 16 Cb 0.04 -0.26 -0.01 0.00 0.56 0.00 0.00 36.38 36.71 3jrb s VAL 16 CO 0.03 0.13 0.48 0.20 -0.31 0.00 0.00 175.10 175.63 3jrb s ASN 17 N 0.76 5.95 0.27 4.85 0.01 -0.92 -4.96 114.94 120.90 3jrb s ASN 17 Ca -0.08 -0.18 -0.01 0.00 -0.71 0.00 0.00 52.86 51.89 3jrb s ASN 17 Cb -0.11 -1.21 0.56 0.00 0.41 0.00 0.00 41.25 40.90 3jrb s ASN 17 CO -0.01 -0.46 1.74 0.77 -1.51 0.00 0.00 177.10 177.62 3jrb h SER 18 N 0.85 0.41 0.00 -1.22 4.64 -2.01 -1.51 113.55 114.71 3jrb h SER 18 Ca -0.45 0.11 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 3jrb h SER 18 Cb 1.26 0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 3jrb h SER 18 CO 0.52 0.13 0.00 0.00 -0.87 0.00 0.00 176.83 176.61 3jrb n GLN 19 N -4.95 0.60 -2.59 4.77 6.02 -1.26 -4.74 117.38 115.23 3jrb n GLN 19 Ca 0.18 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 57.06 3jrb n GLN 19 Cb 0.49 -1.20 -0.00 0.00 1.02 0.00 0.00 30.24 30.54 3jrb n GLN 19 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 3jrb n ASP 20 N 0.74 -3.17 -4.60 1.08 10.43 -0.57 -4.95 116.55 115.51 3jrb n ASP 20 Ca 0.00 0.18 -0.40 0.00 2.57 0.00 0.00 54.79 57.14 3jrb n ASP 20 Cb 0.30 -2.72 -0.08 0.00 1.84 0.00 0.00 41.12 40.46 3jrb n ASP 20 CO 0.00 0.00 0.00 -1.10 -1.07 0.00 0.00 177.20 175.03 3jrb s GLN 21 N -5.16 3.96 0.53 -1.24 -0.21 -1.23 -4.89 119.66 111.42 3jrb s GLN 21 Ca 0.06 0.22 -0.17 0.00 0.02 0.00 0.00 55.36 55.48 3jrb s GLN 21 Cb -0.03 -3.69 -0.07 0.00 1.00 0.00 0.00 33.01 30.22 3jrb s GLN 21 CO 0.07 -0.43 1.02 0.08 -2.12 0.00 0.00 175.29 173.91 3jrb s VAL 22 N 2.36 4.10 -0.29 1.09 1.01 -1.26 -2.17 120.40 125.24 3jrb s VAL 22 Ca 0.21 1.10 -0.24 0.00 0.00 0.00 0.00 61.98 63.04 3jrb s VAL 22 Cb -0.15 -3.53 0.15 0.00 0.00 0.00 0.00 36.38 32.85 3jrb s VAL 22 CO 0.10 -0.49 1.18 0.28 0.00 0.00 0.00 175.10 176.18 3jrb s THR 23 N -2.38 0.00 0.54 3.92 -1.32 -0.69 -4.94 115.64 110.77 3jrb s THR 23 Ca 0.63 0.00 -0.07 0.00 -1.21 0.00 0.00 61.69 61.04 3jrb s THR 23 Cb -0.13 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 69.83 3jrb s THR 23 CO 0.29 0.00 0.87 -1.58 -2.21 0.00 0.00 174.62 171.99 3jrb s GLN 24 N 0.26 3.37 -0.13 7.08 2.00 -1.26 -0.15 119.66 130.83 3jrb s GLN 24 Ca 0.03 0.26 -0.29 0.00 -2.00 0.00 0.00 55.36 53.36 3jrb s GLN 24 Cb -0.05 -2.28 0.09 0.00 0.80 0.00 0.00 33.01 31.57 3jrb s GLN 24 CO -0.10 -0.42 0.80 -1.59 -0.50 0.00 0.00 175.29 173.47 3jrb s LYS 25 N -4.91 0.86 0.80 1.67 -2.85 -0.53 -4.87 119.74 109.93 3jrb s LYS 25 Ca 0.51 0.37 -0.12 0.00 -1.00 0.00 0.00 55.97 55.72 3jrb s LYS 25 Cb -0.10 0.41 0.08 0.00 -2.06 0.00 0.00 37.83 36.15 3jrb s LYS 25 CO 0.47 -0.24 1.16 -2.14 0.10 0.00 0.00 175.35 174.70 3jrb s PRO 26 N -0.81 1.77 0.23 1.78 0.02 -1.26 -1.39 135.00 135.34 3jrb s PRO 26 Ca -0.06 1.56 0.01 0.00 0.02 0.00 0.00 61.00 62.54 3jrb s PRO 26 Cb -0.01 -1.81 0.24 0.00 0.02 0.00 0.00 34.50 32.93 3jrb s PRO 26 CO 0.05 -2.07 1.58 1.25 -0.33 0.00 0.00 177.00 177.48 3jrb h LEU 27 N -1.01 0.46 -2.22 -5.54 5.85 -1.66 -2.82 115.31 108.37 3jrb h LEU 27 Ca -0.45 -0.23 0.05 0.00 0.84 0.00 0.00 57.88 58.09 3jrb h LEU 27 Cb 1.27 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.16 3jrb h LEU 27 CO 0.47 0.88 0.19 0.08 -0.34 0.00 0.00 178.44 179.72 3jrb h ARG 28 N 0.33 0.00 0.00 1.25 0.11 -1.89 0.14 114.38 114.33 3jrb h ARG 28 Ca 0.01 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 60.01 3jrb h ARG 28 Cb 1.00 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.06 3jrb h ARG 28 CO 0.09 0.00 -0.42 -0.44 0.10 0.00 0.00 179.97 179.30 3jrb h ASP 29 N 0.00 0.00 0.12 0.08 3.45 -1.84 -1.03 116.42 117.19 3jrb h ASP 29 Ca 0.09 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.54 3jrb h ASP 29 Cb 0.46 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.23 3jrb h ASP 29 CO -0.00 0.42 -0.06 0.28 -1.57 0.00 0.00 179.24 178.32 3jrb h SER 30 N 0.00 -0.13 -0.85 6.45 0.02 -0.86 -2.62 113.55 115.56 3jrb h SER 30 Ca -0.00 -0.44 0.19 0.00 -0.84 0.00 0.00 61.79 60.70 3jrb h SER 30 Cb 0.83 0.03 -0.12 0.00 0.14 0.00 0.00 62.40 63.29 3jrb h SER 30 CO 0.05 0.46 0.34 0.58 -1.14 0.00 0.00 176.83 177.13 3jrb h VAL 31 N -0.82 0.53 0.23 2.27 2.07 -1.42 1.03 116.25 120.14 3jrb h VAL 31 Ca -0.02 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 3jrb h VAL 31 Cb 0.56 0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.42 3jrb h VAL 31 CO 0.03 0.07 -0.14 0.50 0.02 0.00 0.00 177.57 178.05 3jrb h LYS 32 N 0.41 -0.35 -0.16 1.57 3.64 -1.17 -1.95 116.57 118.55 3jrb h LYS 32 Ca 0.50 0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.95 3jrb h LYS 32 Cb 0.89 0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.75 3jrb h LYS 32 CO -0.49 -0.23 -0.09 0.37 -2.27 0.00 0.00 179.45 176.73 3jrb h GLN 33 N -0.36 -0.08 -0.24 1.90 4.15 -0.69 -0.91 115.11 118.89 3jrb h GLN 33 Ca -0.02 0.01 0.02 0.00 0.77 0.00 0.00 58.65 59.42 3jrb h GLN 33 Cb 0.30 0.02 -0.03 0.00 0.21 0.00 0.00 27.48 27.98 3jrb h GLN 33 CO 0.02 -0.05 -0.14 0.00 -1.93 0.00 0.00 178.83 176.73 3jrb n ALA 34 N -2.46 -0.15 0.19 3.38 0.00 0.34 -0.94 120.51 120.87 3jrb n ALA 34 Ca -0.03 0.20 -0.13 0.00 0.00 0.00 0.00 53.44 53.49 3jrb n ALA 34 Cb 0.16 0.30 -0.07 0.00 0.00 0.00 0.00 19.45 19.84 3jrb n ALA 34 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3jrb h LEU 35 N 0.00 -1.04 -0.40 0.00 3.38 -1.17 -1.91 115.31 114.17 3jrb h LEU 35 Ca 0.04 0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.13 3jrb h LEU 35 Cb 0.10 0.35 -0.05 0.00 0.09 0.00 0.00 40.66 41.15 3jrb h LEU 35 CO -0.22 -0.48 -0.23 0.29 0.09 0.00 0.00 178.44 177.89 3jrb n LYS 36 N -4.64 -0.17 -0.26 1.13 4.76 -0.36 0.18 118.16 118.79 3jrb n LYS 36 Ca -0.08 0.60 -0.02 0.00 -2.87 0.00 0.00 58.31 55.94 3jrb n LYS 36 Cb 0.33 -0.89 0.10 0.00 -1.84 0.00 0.00 35.03 32.74 3jrb n LYS 36 CO 0.00 0.00 0.00 -0.97 -1.37 0.00 0.00 177.40 175.06 3jrb h ASN 37 N 0.00 0.68 0.20 4.39 -0.00 -0.59 -0.13 115.58 120.12 3jrb h ASN 37 Ca 0.07 0.02 0.01 0.00 -0.00 0.00 0.00 56.30 56.40 3jrb h ASN 37 Cb 0.17 -0.13 -0.04 0.00 -0.00 0.00 0.00 38.32 38.32 3jrb h ASN 37 CO -0.38 0.45 -0.38 0.22 -0.00 0.00 0.00 177.43 177.34 3jrb h TYR 38 N 0.82 -1.06 0.28 0.67 3.20 0.27 -2.21 116.97 118.93 3jrb h TYR 38 Ca 0.31 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.20 3jrb h TYR 38 Cb 0.12 0.44 -0.02 0.00 1.54 0.00 0.00 36.73 38.81 3jrb h TYR 38 CO -0.05 -0.50 -0.26 0.74 -1.64 0.00 0.00 178.16 176.45 3jrb h PHE 39 N -0.67 -0.68 -0.66 -3.82 -1.00 -0.87 0.16 116.94 109.40 3jrb h PHE 39 Ca 0.01 0.00 0.27 0.00 2.81 0.00 0.00 57.97 61.06 3jrb h PHE 39 Cb 0.66 0.26 -0.12 0.00 3.61 0.00 0.00 35.95 40.37 3jrb h PHE 39 CO -0.30 -0.38 0.31 0.00 -1.61 0.00 0.00 178.31 176.33 3jrb n ALA 40 N -2.52 0.64 -0.05 2.45 0.00 -0.09 -2.80 120.51 118.14 3jrb n ALA 40 Ca -0.09 0.68 0.00 0.00 0.00 0.00 0.00 53.44 54.03 3jrb n ALA 40 Cb 0.29 -0.66 0.00 0.00 0.00 0.00 0.00 19.45 19.08 3jrb n ALA 40 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3jrb n GLN 41 N -4.56 0.00 -1.67 0.00 -0.06 0.55 -4.58 117.38 107.06 3jrb n GLN 41 Ca 0.24 0.47 -0.44 0.00 -2.00 0.00 0.00 57.00 55.27 3jrb n GLN 41 Cb 0.81 -1.12 -0.04 0.00 -4.06 0.00 0.00 30.24 25.83 3jrb n GLN 41 CO 0.00 0.00 0.00 1.47 -0.20 0.00 0.00 177.06 178.33 3jrb n LEU 42 N -1.92 3.94 0.00 1.69 -0.00 -1.10 -4.88 117.00 114.73 3jrb n LEU 42 Ca 0.00 0.92 0.00 0.00 -0.00 0.00 0.00 56.01 56.93 3jrb n LEU 42 Cb 0.00 -1.48 0.00 0.00 -0.00 0.00 0.00 43.42 41.94 3jrb n LEU 42 CO 0.00 0.12 0.38 0.59 -0.00 0.00 0.00 177.39 178.48 3jrb n ASN 43 N 7.31 0.00 -0.23 1.45 5.03 -1.26 -4.63 115.26 122.92 3jrb n ASN 43 Ca 0.21 0.76 0.04 0.00 0.87 0.00 0.00 54.58 56.46 3jrb n ASN 43 Cb 0.37 -0.26 0.06 0.00 -1.02 0.00 0.00 39.78 38.94 3jrb n ASN 43 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3jrb n GLY 44 N -0.77 2.39 3.63 7.41 0.00 -1.26 -5.04 105.19 111.55 3jrb n GLY 44 Ca 0.00 -0.50 -0.41 0.00 0.00 0.00 0.00 46.02 45.11 3jrb n GLY 44 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3jrb s GLN 45 N -1.35 4.12 0.31 1.61 -0.21 -1.26 -4.94 119.66 117.93 3jrb s GLN 45 Ca 0.14 0.67 -0.27 0.00 0.02 0.00 0.00 55.36 55.93 3jrb s GLN 45 Cb 0.12 -3.65 -0.14 0.00 1.00 0.00 0.00 33.01 30.34 3jrb s GLN 45 CO 0.01 -0.46 0.80 -0.40 -2.12 0.00 0.00 175.29 173.12 3jrb n ASP 46 N 5.83 0.26 -4.55 5.90 5.75 -1.26 -4.94 116.55 123.54 3jrb n ASP 46 Ca 0.02 1.10 -0.36 0.00 -0.01 0.00 0.00 54.79 55.53 3jrb n ASP 46 Cb 0.48 -1.18 -0.11 0.00 -1.03 0.00 0.00 41.12 39.28 3jrb n ASP 46 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3jrb s VAL 47 N -1.15 4.78 -0.17 2.12 1.01 -1.26 -5.03 120.40 120.70 3jrb s VAL 47 Ca 0.61 -0.02 -0.15 0.00 0.00 0.00 0.00 61.98 62.43 3jrb s VAL 47 Cb -0.72 -3.23 -0.10 0.00 0.00 0.00 0.00 36.38 32.33 3jrb s VAL 47 CO 0.59 0.35 0.01 -1.13 0.00 0.00 0.00 175.10 174.91 3jrb h ASN 48 N 7.80 0.00 -2.75 3.32 -1.24 -2.06 -3.45 115.58 117.21 3jrb h ASN 48 Ca -0.37 -0.24 -0.60 0.00 0.71 0.00 0.00 56.30 55.80 3jrb h ASN 48 Cb 1.18 0.00 -0.40 0.00 0.73 0.00 0.00 38.32 39.83 3jrb h ASN 48 CO 0.61 1.09 -0.81 -1.81 -1.29 0.00 0.00 177.43 175.22 3jrb s ASP 49 N -6.24 2.90 0.00 1.15 -0.00 -1.26 -4.92 116.67 108.29 3jrb s ASP 49 Ca -0.21 -3.28 0.06 0.00 -0.00 0.00 0.00 52.55 49.13 3jrb s ASP 49 Cb 0.04 -0.92 -0.24 0.00 -0.00 0.00 0.00 42.92 41.80 3jrb s ASP 49 CO 0.39 -0.15 0.84 0.25 -0.00 0.00 0.00 175.17 176.49 3jrb h LEU 50 N 5.71 0.12 0.40 1.23 5.85 -2.00 -3.25 115.31 123.37 3jrb h LEU 50 Ca 0.19 -0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 3jrb h LEU 50 Cb 0.86 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.85 3jrb h LEU 50 CO 0.50 1.17 -0.19 0.22 -0.34 0.00 0.00 178.44 179.79 3jrb h TYR 51 N 0.02 -0.50 0.00 1.25 3.20 -2.01 -2.72 116.97 116.21 3jrb h TYR 51 Ca -0.22 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.64 3jrb h TYR 51 Cb 1.96 0.17 0.00 0.00 1.54 0.00 0.00 36.73 40.39 3jrb h TYR 51 CO 0.02 -0.22 0.00 0.39 -1.64 0.00 0.00 178.16 176.71 3jrb n GLU 52 N -5.14 0.68 -0.04 1.82 4.71 -1.26 -2.00 120.64 119.41 3jrb n GLU 52 Ca -0.08 0.00 -0.04 0.00 -0.01 0.00 0.00 57.16 57.03 3jrb n GLU 52 Cb 0.26 -1.06 -0.01 0.00 -1.01 0.00 0.00 31.44 29.61 3jrb n GLU 52 CO 0.00 0.00 0.00 -0.11 0.09 0.00 0.00 177.13 177.11 3jrb n LEU 53 N -0.38 0.93 -0.30 -4.62 7.94 -1.18 -4.28 117.00 115.12 3jrb n LEU 53 Ca 0.00 0.26 0.01 0.00 -1.11 0.00 0.00 56.01 55.17 3jrb n LEU 53 Cb 0.03 -0.64 0.14 0.00 0.53 0.00 0.00 43.42 43.48 3jrb n LEU 53 CO 0.00 -0.42 1.17 0.58 -1.11 0.00 0.00 177.39 177.61 3jrb h VAL 54 N -0.49 1.01 -0.62 1.96 2.07 -1.25 0.23 116.25 119.16 3jrb h VAL 54 Ca 0.00 -0.31 0.08 0.00 0.82 0.00 0.00 66.70 67.29 3jrb h VAL 54 Cb 0.41 0.03 -0.10 0.00 -1.52 0.00 0.00 31.29 30.11 3jrb h VAL 54 CO 0.00 0.16 -0.50 0.25 0.02 0.00 0.00 177.57 177.50 3jrb h LEU 55 N 0.90 -1.74 -2.10 2.57 5.85 -1.67 0.49 115.31 119.61 3jrb h LEU 55 Ca 0.37 0.26 -0.01 0.00 0.84 0.00 0.00 57.88 59.34 3jrb h LEU 55 Cb 0.20 0.77 -0.00 0.00 0.37 0.00 0.00 40.66 41.99 3jrb h LEU 55 CO -0.18 -0.34 -0.07 0.00 -0.34 0.00 0.00 178.44 177.51 3jrb h ALA 56 N 0.41 1.54 -0.04 1.25 0.00 -0.78 0.81 119.26 122.45 3jrb h ALA 56 Ca 0.15 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3jrb h ALA 56 Cb 0.55 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3jrb h ALA 56 CO -0.72 0.09 0.00 -1.91 0.00 0.00 0.00 179.25 176.70 3jrb n GLU 57 N -3.95 1.59 -0.01 0.00 4.07 -0.50 -3.57 120.64 118.29 3jrb n GLU 57 Ca -0.03 -0.87 0.01 0.00 -0.06 0.00 0.00 57.16 56.21 3jrb n GLU 57 Cb 0.16 -1.46 -0.02 0.00 -0.06 0.00 0.00 31.44 30.06 3jrb n GLU 57 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 3jrb n VAL 58 N 0.06 0.06 -0.03 6.31 0.31 0.24 -4.74 118.33 120.54 3jrb n VAL 58 Ca 0.19 -0.08 -0.15 0.00 -0.01 0.00 0.00 64.34 64.29 3jrb n VAL 58 Cb 0.32 -0.02 -0.09 0.00 -0.91 0.00 0.00 33.84 33.14 3jrb n VAL 58 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3jrb h GLU 59 N 0.00 0.28 -0.77 5.55 5.08 -0.52 -3.04 114.58 121.17 3jrb h GLU 59 Ca -0.02 -0.22 0.18 0.00 -1.00 0.00 0.00 59.36 58.29 3jrb h GLU 59 Cb 0.47 0.04 -0.12 0.00 0.50 0.00 0.00 28.75 29.64 3jrb h GLU 59 CO 0.00 0.86 0.17 1.96 -1.00 0.00 0.00 179.01 181.00 3jrb h GLN 60 N -0.23 0.22 -0.10 2.33 4.20 -1.81 0.28 115.11 120.00 3jrb h GLN 60 Ca -0.01 -0.01 -0.05 0.00 0.06 0.00 0.00 58.65 58.63 3jrb h GLN 60 Cb 0.90 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.63 3jrb h GLN 60 CO 0.05 0.15 -0.13 -1.35 -0.67 0.00 0.00 178.83 176.88 3jrb h PRO 61 N 0.23 0.26 -0.85 1.46 0.11 -1.86 0.11 132.00 131.47 3jrb h PRO 61 Ca 0.45 -0.15 0.15 0.00 0.11 0.00 0.00 66.00 66.55 3jrb h PRO 61 Cb 0.80 0.01 -0.09 0.00 0.11 0.00 0.00 31.00 31.83 3jrb h PRO 61 CO -0.57 0.71 0.43 1.25 -0.21 0.00 0.00 178.00 179.62 3jrb h LEU 62 N -0.16 0.52 0.28 2.35 5.85 -1.29 0.48 115.31 123.34 3jrb h LEU 62 Ca 0.01 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 3jrb h LEU 62 Cb 0.68 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.72 3jrb h LEU 62 CO 0.03 0.22 -0.14 -0.07 -0.34 0.00 0.00 178.44 178.14 3jrb h LEU 63 N 0.62 -0.32 -1.37 2.25 3.38 -0.45 -1.35 115.31 118.07 3jrb h LEU 63 Ca 0.46 0.01 0.44 0.00 0.09 0.00 0.00 57.88 58.88 3jrb h LEU 63 Cb 0.66 0.08 -0.13 0.00 0.09 0.00 0.00 40.66 41.36 3jrb h LEU 63 CO -0.36 -0.02 0.83 -0.78 0.09 0.00 0.00 178.44 178.20 3jrb h ASP 64 N -0.81 0.25 0.37 -0.43 -0.00 -0.59 -1.86 116.42 113.35 3jrb h ASP 64 Ca -0.04 0.15 -0.31 0.00 -0.00 0.00 0.00 57.03 56.82 3jrb h ASP 64 Cb 0.29 0.14 -0.05 0.00 -0.00 0.00 0.00 39.33 39.71 3jrb h ASP 64 CO 0.06 -0.20 -1.85 0.23 -0.00 0.00 0.00 179.24 177.48 3jrb n MET 65 N -4.74 0.66 -0.11 0.28 2.81 0.14 -2.29 117.12 113.88 3jrb n MET 65 Ca 0.37 0.25 0.09 0.00 -1.81 0.00 0.00 57.70 56.61 3jrb n MET 65 Cb 1.42 -1.74 0.31 0.00 -0.71 0.00 0.00 33.22 32.50 3jrb n MET 65 CO 0.00 0.00 0.00 1.33 1.51 0.00 0.00 175.97 178.81 3jrb n VAL 66 N -3.08 0.28 -0.12 2.03 0.24 -0.51 -1.99 118.33 115.17 3jrb n VAL 66 Ca -0.22 -0.38 -0.26 0.00 -2.04 0.00 0.00 64.34 61.45 3jrb n VAL 66 Cb 1.06 0.32 -0.10 0.00 -1.47 0.00 0.00 33.84 33.65 3jrb n VAL 66 CO 0.00 0.00 0.00 0.23 -2.14 0.00 0.00 176.83 174.92 3jrb n MET 67 N 0.36 0.57 -0.33 7.34 2.81 -0.77 -4.11 117.12 122.99 3jrb n MET 67 Ca 0.15 0.36 0.25 0.00 -1.81 0.00 0.00 57.70 56.64 3jrb n MET 67 Cb 0.31 -1.57 0.49 0.00 -0.71 0.00 0.00 33.22 31.74 3jrb n MET 67 CO 0.00 0.00 0.00 0.37 1.51 0.00 0.00 175.97 177.85 3jrb h GLN 68 N -1.00 0.19 0.00 0.03 4.15 -1.41 0.28 115.11 117.35 3jrb h GLN 68 Ca -0.54 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 58.87 3jrb h GLN 68 Cb 1.46 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 29.10 3jrb h GLN 68 CO -0.33 0.12 0.00 -0.92 -1.93 0.00 0.00 178.83 175.78 3jrb h TYR 69 N 0.19 0.00 -0.44 3.99 3.20 -1.61 -3.21 116.97 119.10 3jrb h TYR 69 Ca 0.75 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.62 3jrb h TYR 69 Cb 1.79 0.00 0.00 0.00 1.54 0.00 0.00 36.73 40.06 3jrb h TYR 69 CO -0.06 0.00 0.00 0.25 -1.64 0.00 0.00 178.16 176.71 3jrb n THR 70 N -3.09 1.14 -2.19 1.81 -2.24 0.91 -4.97 114.28 105.64 3jrb n THR 70 Ca 0.03 -1.07 -0.20 0.00 -2.27 0.00 0.00 64.05 60.54 3jrb n THR 70 Cb 0.46 0.43 -0.03 0.00 -2.10 0.00 0.00 70.33 69.08 3jrb n THR 70 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3jrb n ARG 71 N 0.70 -1.66 -0.88 -0.78 3.00 -0.76 -2.42 116.66 113.87 3jrb n ARG 71 Ca 0.16 1.03 0.00 0.00 -0.00 0.00 0.00 57.85 59.04 3jrb n ARG 71 Cb 0.52 -5.62 0.00 0.00 0.00 0.00 0.00 32.46 27.36 3jrb n ARG 71 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3jrb n GLY 72 N -0.84 0.48 3.49 5.14 0.00 -1.12 -4.99 105.19 107.35 3jrb n GLY 72 Ca -0.23 -0.77 -0.43 0.00 0.00 0.00 0.00 46.02 44.60 3jrb n GLY 72 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3jrb s ASN 73 N -2.70 6.50 0.53 1.61 3.84 -1.02 -4.88 114.94 118.83 3jrb s ASN 73 Ca 0.00 -1.63 0.35 0.00 0.21 0.00 0.00 52.86 51.79 3jrb s ASN 73 Cb 0.00 -2.47 1.51 0.00 -0.55 0.00 0.00 41.25 39.75 3jrb s ASN 73 CO 0.00 -1.30 1.81 1.56 -2.79 0.00 0.00 177.10 176.38 3jrb h GLN 74 N 9.31 0.03 0.20 0.43 4.20 -1.94 -1.33 115.11 126.02 3jrb h GLN 74 Ca 0.09 -0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.79 3jrb h GLN 74 Cb 1.03 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.80 3jrb h GLN 74 CO 1.23 0.02 -0.10 1.15 -0.67 0.00 0.00 178.83 180.46 3jrb h THR 75 N 0.03 0.75 -0.31 -0.54 2.02 -1.96 -2.60 112.91 110.30 3jrb h THR 75 Ca 0.56 -1.00 -0.03 0.00 0.77 0.00 0.00 66.41 66.71 3jrb h THR 75 Cb 2.16 1.23 -0.01 0.00 -1.74 0.00 0.00 68.15 69.79 3jrb h THR 75 CO -0.03 0.18 0.07 0.03 0.37 0.00 0.00 175.52 176.14 3jrb h ARG 76 N -0.87 0.49 -0.32 6.66 3.08 -1.87 -2.06 114.38 119.49 3jrb h ARG 76 Ca -0.03 -0.12 0.03 0.00 0.07 0.00 0.00 59.98 59.93 3jrb h ARG 76 Cb 0.51 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.46 3jrb h ARG 76 CO 0.05 0.56 -0.19 0.00 -1.07 0.00 0.00 179.97 179.32 3jrb n ALA 77 N -2.32 -0.20 -0.16 0.04 0.00 -0.53 -0.29 120.51 117.05 3jrb n ALA 77 Ca -0.02 0.27 -0.09 0.00 0.00 0.00 0.00 53.44 53.60 3jrb n ALA 77 Cb 0.19 -0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.61 3jrb n ALA 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3jrb h ALA 78 N 0.12 0.60 -0.91 0.00 0.00 -0.98 -2.17 119.26 115.92 3jrb h ALA 78 Ca 0.05 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.78 3jrb h ALA 78 Cb 0.13 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 3jrb h ALA 78 CO -0.30 0.28 0.60 -0.07 0.00 0.00 0.00 179.25 179.77 3jrb h LEU 79 N 0.61 1.03 0.39 0.00 3.38 -0.24 0.48 115.31 120.96 3jrb h LEU 79 Ca 0.14 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 3jrb h LEU 79 Cb 0.32 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3jrb h LEU 79 CO 0.00 0.73 -0.19 0.24 0.09 0.00 0.00 178.44 179.31 3jrb h MET 80 N 1.20 -0.51 0.00 1.13 2.86 -0.49 -2.90 114.93 116.23 3jrb h MET 80 Ca 0.35 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 58.02 3jrb h MET 80 Cb -0.08 0.12 0.00 0.00 0.06 0.00 0.00 31.60 31.69 3jrb h MET 80 CO -0.09 -0.25 0.00 -1.33 1.06 0.00 0.00 176.91 176.30 3jrb n MET 81 N -5.25 0.01 -1.36 1.72 2.81 -0.83 -4.89 117.12 109.33 3jrb n MET 81 Ca -0.11 0.28 -0.12 0.00 -1.81 0.00 0.00 57.70 55.94 3jrb n MET 81 Cb 0.26 -1.51 -0.05 0.00 -0.71 0.00 0.00 33.22 31.21 3jrb n MET 81 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3jrb n GLY 82 N -0.14 1.31 3.67 3.03 0.00 0.16 -5.00 105.19 108.23 3jrb n GLY 82 Ca 0.03 -0.46 -0.30 0.00 0.00 0.00 0.00 46.02 45.29 3jrb n GLY 82 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3jrb s ILE 83 N -2.45 1.49 0.10 -0.61 -4.36 -0.99 -5.03 121.20 109.35 3jrb s ILE 83 Ca 0.00 -2.00 -0.30 0.00 -0.26 0.00 0.00 60.65 58.09 3jrb s ILE 83 Cb 0.00 -2.56 -0.06 0.00 1.25 0.00 0.00 42.46 41.09 3jrb s ILE 83 CO 0.00 0.00 0.99 0.21 0.24 0.00 0.00 174.94 176.38 3jrb s ASN 84 N -3.77 7.44 0.43 4.36 3.84 -1.26 -4.43 114.94 121.55 3jrb s ASN 84 Ca 0.21 1.81 0.34 0.00 0.21 0.00 0.00 52.86 55.44 3jrb s ASN 84 Cb 0.06 -2.59 1.43 0.00 -0.55 0.00 0.00 41.25 39.60 3jrb s ASN 84 CO 0.11 -0.13 1.43 0.54 -2.79 0.00 0.00 177.10 176.26 3jrb n ARG 85 N 2.97 -0.02 0.04 0.43 1.74 -1.26 -1.06 116.66 119.49 3jrb n ARG 85 Ca 0.03 1.11 -0.02 0.00 -0.77 0.00 0.00 57.85 58.19 3jrb n ARG 85 Cb 0.49 -2.27 -0.01 0.00 -1.02 0.00 0.00 32.46 29.64 3jrb n ARG 85 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 3jrb h GLY 86 N 0.00 -0.16 0.85 -0.13 0.00 -1.98 -3.15 103.07 98.50 3jrb h GLY 86 Ca 0.82 0.06 0.08 0.00 0.00 0.00 0.00 47.33 48.29 3jrb h GLY 86 CO -0.31 -0.06 0.50 -0.91 0.00 0.00 0.00 176.54 175.76 3jrb h THR 87 N -0.61 0.18 -0.24 4.70 1.35 -1.52 1.01 112.91 117.77 3jrb h THR 87 Ca -0.02 0.00 -0.06 0.00 -0.55 0.00 0.00 66.41 65.78 3jrb h THR 87 Cb 0.12 0.56 -0.01 0.00 -1.73 0.00 0.00 68.15 67.09 3jrb h THR 87 CO 0.03 0.00 -0.09 0.25 -0.25 0.00 0.00 175.52 175.45 3jrb h LEU 88 N 0.00 0.50 -0.74 3.87 5.85 -1.17 -1.48 115.31 122.15 3jrb h LEU 88 Ca 0.13 -0.39 -0.02 0.00 0.84 0.00 0.00 57.88 58.43 3jrb h LEU 88 Cb 1.13 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.99 3jrb h LEU 88 CO -0.00 0.78 0.37 0.03 -0.34 0.00 0.00 178.44 179.28 3jrb h ARG 89 N 0.22 1.06 0.27 1.25 3.08 0.11 0.04 114.38 120.41 3jrb h ARG 89 Ca 0.06 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 59.96 3jrb h ARG 89 Cb 0.58 -0.19 -0.04 0.00 0.08 0.00 0.00 29.97 30.40 3jrb h ARG 89 CO 0.03 0.82 -0.48 -0.22 -1.07 0.00 0.00 179.97 179.05 3jrb h LYS 90 N 1.03 -0.79 -0.02 0.04 3.64 -1.36 0.46 116.57 119.57 3jrb h LYS 90 Ca 0.26 0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.70 3jrb h LYS 90 Cb 0.10 0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 32.10 3jrb h LYS 90 CO -0.03 -0.53 0.02 0.87 -2.27 0.00 0.00 179.45 177.51 3jrb h LYS 91 N -0.82 0.00 0.27 1.90 1.57 -0.66 0.28 116.57 119.11 3jrb h LYS 91 Ca -0.02 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 3jrb h LYS 91 Cb 0.78 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.09 3jrb h LYS 91 CO -0.18 0.00 -0.13 -0.07 -0.57 0.00 0.00 179.45 178.50 3jrb h LEU 92 N 0.00 -0.31 -0.88 2.94 3.38 -0.68 -3.15 115.31 116.62 3jrb h LEU 92 Ca 0.01 -0.18 0.16 0.00 0.09 0.00 0.00 57.88 57.96 3jrb h LEU 92 Cb 0.06 0.08 -0.16 0.00 0.09 0.00 0.00 40.66 40.73 3jrb h LEU 92 CO -0.00 0.19 -0.29 0.11 0.09 0.00 0.00 178.44 178.54 3jrb h LYS 93 N -0.98 -0.02 -0.67 1.13 1.79 0.14 0.37 116.57 118.32 3jrb h LYS 93 Ca -0.04 0.00 0.13 0.00 -2.18 0.00 0.00 60.65 58.57 3jrb h LYS 93 Cb 0.47 0.01 -0.10 0.00 -1.58 0.00 0.00 32.23 31.03 3jrb h LYS 93 CO 0.06 -0.02 0.17 -0.22 -1.08 0.00 0.00 179.45 178.36 3jrb h LYS 94 N -0.02 0.28 -0.32 3.15 3.64 -0.60 0.32 116.57 123.02 3jrb h LYS 94 Ca 0.38 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.74 3jrb h LYS 94 Cb 0.62 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 3jrb h LYS 94 CO -0.91 0.19 0.00 0.66 -2.27 0.00 0.00 179.45 177.12 3jrb n TYR 95 N -5.12 0.40 -3.13 1.91 4.01 -0.87 -5.00 117.16 109.36 3jrb n TYR 95 Ca 0.11 -0.20 -0.03 0.00 -0.16 0.00 0.00 57.90 57.63 3jrb n TYR 95 Cb 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.41 3jrb n TYR 95 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3jrb n GLY 96 N 1.43 -1.24 0.00 2.72 0.00 0.12 -5.00 105.19 103.21 3jrb n GLY 96 Ca 0.18 0.48 0.00 0.00 0.00 0.00 0.00 46.02 46.69 3jrb n GLY 96 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3jrb n MET 97 N -1.89 1.91 0.00 1.61 2.81 -0.49 -4.98 117.12 116.09 3jrb n MET 97 Ca -0.03 0.00 0.16 0.00 -1.81 0.00 0.00 57.70 56.02 3jrb n MET 97 Cb 0.52 -0.82 0.90 0.00 -0.71 0.00 0.00 33.22 33.11 3jrb n MET 97 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75