#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jrb s PHE 2 N 0.00 3.25 0.48 2.03 2.99 -1.26 -5.04 117.98 120.43 3jrb s PHE 2 Ca 0.00 0.52 -0.21 0.00 0.00 0.00 0.00 56.93 57.24 3jrb s PHE 2 Cb 0.00 -2.74 -0.08 0.00 0.00 0.00 0.00 43.02 40.20 3jrb s PHE 2 CO 0.00 -0.32 1.06 -1.21 -0.00 0.00 0.00 175.22 174.74 3jrb s GLU 3 N 2.29 3.77 0.37 0.44 2.02 -1.26 -4.98 118.70 121.35 3jrb s GLU 3 Ca 0.20 1.42 -0.25 0.00 0.02 0.00 0.00 54.97 56.36 3jrb s GLU 3 Cb -0.16 -2.14 -0.09 0.00 0.10 0.00 0.00 34.13 31.85 3jrb s GLU 3 CO 0.10 -0.46 1.06 -1.14 0.02 0.00 0.00 175.26 174.84 3jrb s GLN 4 N -3.15 4.27 -0.18 1.61 0.74 -1.26 -5.04 119.66 116.66 3jrb s GLN 4 Ca 0.67 1.58 -0.01 0.00 0.05 0.00 0.00 55.36 57.65 3jrb s GLN 4 Cb -0.18 -2.70 0.05 0.00 1.10 0.00 0.00 33.01 31.28 3jrb s GLN 4 CO 0.22 -0.06 -0.02 0.50 -0.55 0.00 0.00 175.29 175.38 3jrb s ARG 5 N -2.24 1.12 0.88 1.67 3.52 -1.26 -5.14 118.95 117.51 3jrb s ARG 5 Ca 0.55 -0.51 -0.12 0.00 -0.13 0.00 0.00 55.73 55.52 3jrb s ARG 5 Cb -0.24 -2.04 0.12 0.00 -1.56 0.00 0.00 34.95 31.22 3jrb s ARG 5 CO 0.31 -0.52 1.15 0.08 -0.81 0.00 0.00 175.30 175.51 3jrb s VAL 6 N 1.70 2.01 0.11 7.11 1.01 -1.26 -4.86 120.40 126.21 3jrb s VAL 6 Ca -0.01 0.00 -0.03 0.00 0.00 0.00 0.00 61.98 61.95 3jrb s VAL 6 Cb -0.16 -2.82 -0.23 0.00 0.00 0.00 0.00 36.38 33.17 3jrb s VAL 6 CO -0.07 -0.00 1.23 0.78 0.00 0.00 0.00 175.10 177.04 3jrb h ASN 7 N -1.38 0.41 -0.88 3.32 2.35 -2.00 -1.64 115.58 115.76 3jrb h ASN 7 Ca -0.49 -0.39 0.25 0.00 -0.55 0.00 0.00 56.30 55.12 3jrb h ASN 7 Cb 1.33 -0.13 -0.16 0.00 0.05 0.00 0.00 38.32 39.41 3jrb h ASN 7 CO 0.63 1.25 0.06 -1.20 -1.65 0.00 0.00 177.43 176.52 3jrb n SER 8 N -3.61 -0.06 -1.07 5.81 7.64 -1.26 -1.60 113.62 119.47 3jrb n SER 8 Ca -0.07 1.48 0.12 0.00 1.01 0.00 0.00 58.87 61.42 3jrb n SER 8 Cb 0.93 -0.56 0.18 0.00 -1.01 0.00 0.00 64.21 63.75 3jrb n SER 8 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 3jrb n ASP 9 N -5.24 3.24 0.20 6.43 4.64 -0.65 -4.03 116.55 121.13 3jrb n ASP 9 Ca 0.22 -1.98 0.12 0.00 -1.38 0.00 0.00 54.79 51.77 3jrb n ASP 9 Cb 0.72 -0.15 0.24 0.00 -1.04 0.00 0.00 41.12 40.89 3jrb n ASP 9 CO 0.00 0.00 0.00 1.62 -0.82 0.00 0.00 177.20 178.00 3jrb h VAL 10 N 4.50 0.00 -3.25 5.18 3.04 -0.96 -3.41 116.25 121.35 3jrb h VAL 10 Ca 0.00 -0.87 -0.58 0.00 -1.01 0.00 0.00 66.70 64.24 3jrb h VAL 10 Cb 0.98 1.86 -0.40 0.00 -2.01 0.00 0.00 31.29 31.72 3jrb h VAL 10 CO 0.00 0.00 -0.76 -0.76 -1.01 0.00 0.00 177.57 175.04 3jrb s LEU 11 N -5.83 2.33 0.27 3.16 1.43 -1.25 -5.11 118.68 113.68 3jrb s LEU 11 Ca 0.08 -1.54 0.07 0.00 -1.03 0.00 0.00 54.13 51.70 3jrb s LEU 11 Cb 0.07 -0.92 -0.06 0.00 0.03 0.00 0.00 46.19 45.31 3jrb s LEU 11 CO 0.65 -0.38 -0.06 0.42 0.23 0.00 0.00 176.35 177.20 3jrb s THR 12 N 1.57 1.63 -0.13 5.49 -4.23 -1.26 0.17 115.64 118.89 3jrb s THR 12 Ca 0.07 -2.13 -0.04 0.00 -1.18 0.00 0.00 61.69 58.41 3jrb s THR 12 Cb -0.17 -2.41 0.06 0.00 1.34 0.00 0.00 72.50 71.32 3jrb s THR 12 CO -0.20 -0.33 0.16 -0.69 -0.54 0.00 0.00 174.62 173.02 3jrb s VAL 13 N -3.02 -0.24 0.41 2.29 1.01 -0.63 -4.83 120.40 115.39 3jrb s VAL 13 Ca 0.29 0.13 -0.26 0.00 0.00 0.00 0.00 61.98 62.14 3jrb s VAL 13 Cb 0.03 -0.45 -0.09 0.00 0.00 0.00 0.00 36.38 35.88 3jrb s VAL 13 CO 0.11 -0.03 1.30 -0.44 0.00 0.00 0.00 175.10 176.04 3jrb s SER 14 N 2.27 6.30 0.03 3.32 0.01 -1.26 -2.99 113.70 121.38 3jrb s SER 14 Ca 0.04 2.64 -0.05 0.00 1.31 0.00 0.00 55.95 59.89 3jrb s SER 14 Cb -0.14 -2.64 -0.01 0.00 0.21 0.00 0.00 66.02 63.45 3jrb s SER 14 CO -0.08 -0.85 0.09 0.28 0.41 0.00 0.00 173.24 173.09 3jrb s THR 15 N -1.27 0.12 0.18 1.44 -1.32 -0.11 -4.92 115.64 109.76 3jrb s THR 15 Ca 0.57 -1.02 -0.14 0.00 -1.21 0.00 0.00 61.69 59.90 3jrb s THR 15 Cb -0.38 -0.77 -0.07 0.00 -1.51 0.00 0.00 72.50 69.77 3jrb s THR 15 CO 0.48 -0.56 0.58 -0.69 -2.21 0.00 0.00 174.62 172.22 3jrb s VAL 16 N -2.32 4.84 0.26 5.08 1.01 -1.26 -0.80 120.40 127.21 3jrb s VAL 16 Ca -0.07 0.80 0.01 0.00 0.00 0.00 0.00 61.98 62.71 3jrb s VAL 16 Cb -0.03 -3.71 0.01 0.00 0.00 0.00 0.00 36.38 32.65 3jrb s VAL 16 CO -0.03 0.14 0.04 -0.46 0.00 0.00 0.00 175.10 174.79 3jrb n ASN 17 N 0.52 2.54 0.05 3.32 6.94 -0.30 -4.89 115.26 123.43 3jrb n ASN 17 Ca -0.03 -2.09 0.09 0.00 -0.02 0.00 0.00 54.58 52.53 3jrb n ASN 17 Cb 0.52 0.14 0.54 0.00 -2.36 0.00 0.00 39.78 38.62 3jrb n ASN 17 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 3jrb h SER 18 N 0.56 0.24 -2.04 0.53 0.02 -1.98 -0.39 113.55 110.49 3jrb h SER 18 Ca -0.21 -0.00 -0.74 0.00 -0.84 0.00 0.00 61.79 60.01 3jrb h SER 18 Cb 0.64 -0.05 -0.31 0.00 0.14 0.00 0.00 62.40 62.82 3jrb h SER 18 CO 0.34 0.16 0.62 0.00 -1.14 0.00 0.00 176.83 176.81 3jrb n GLN 19 N -4.48 3.73 -2.81 3.45 3.00 -1.26 -4.91 117.38 114.10 3jrb n GLN 19 Ca 0.04 -4.15 0.00 0.00 -0.01 0.00 0.00 57.00 52.88 3jrb n GLN 19 Cb 0.23 -2.33 0.00 0.00 0.00 0.00 0.00 30.24 28.14 3jrb n GLN 19 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 3jrb n ASP 20 N -0.35 0.00 -4.35 1.08 8.00 -0.15 -4.85 116.55 115.91 3jrb n ASP 20 Ca 0.47 0.00 -0.32 0.00 0.71 0.00 0.00 54.79 55.65 3jrb n ASP 20 Cb 0.32 0.00 -0.15 0.00 -0.02 0.00 0.00 41.12 41.27 3jrb n ASP 20 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 3jrb s GLN 21 N -3.71 2.50 -0.67 -1.24 2.00 -1.25 -4.79 119.66 112.50 3jrb s GLN 21 Ca 0.00 -0.82 -0.21 0.00 -2.00 0.00 0.00 55.36 52.32 3jrb s GLN 21 Cb 0.00 -2.24 0.08 0.00 0.80 0.00 0.00 33.01 31.65 3jrb s GLN 21 CO 0.00 0.49 0.93 0.08 -0.50 0.00 0.00 175.29 176.28 3jrb s VAL 22 N -0.41 4.47 0.64 1.34 1.01 -1.26 -1.15 120.40 125.04 3jrb s VAL 22 Ca 0.04 -0.62 0.03 0.00 0.00 0.00 0.00 61.98 61.44 3jrb s VAL 22 Cb -0.12 -4.65 0.12 0.00 0.00 0.00 0.00 36.38 31.73 3jrb s VAL 22 CO 0.02 -1.39 0.88 0.35 0.00 0.00 0.00 175.10 174.95 3jrb n THR 23 N 5.80 0.00 -3.38 3.92 -2.24 0.02 -4.87 114.28 113.53 3jrb n THR 23 Ca -0.02 -1.63 -0.27 0.00 -2.27 0.00 0.00 64.05 59.86 3jrb n THR 23 Cb 0.45 -0.77 -0.10 0.00 -2.10 0.00 0.00 70.33 67.81 3jrb n THR 23 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3jrb n GLN 24 N -2.54 0.28 -3.44 -0.78 1.13 -1.26 -0.93 117.38 109.83 3jrb n GLN 24 Ca 0.16 -3.21 -0.32 0.00 -1.94 0.00 0.00 57.00 51.69 3jrb n GLN 24 Cb 0.56 -1.63 -0.05 0.00 0.11 0.00 0.00 30.24 29.23 3jrb n GLN 24 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 3jrb s LYS 25 N -0.12 3.79 0.47 -1.09 1.02 -1.16 -4.66 119.74 117.98 3jrb s LYS 25 Ca 0.33 0.24 -0.22 0.00 0.02 0.00 0.00 55.97 56.34 3jrb s LYS 25 Cb 0.05 -2.68 -0.10 0.00 -0.52 0.00 0.00 37.83 34.58 3jrb s LYS 25 CO -0.19 0.34 0.76 -0.35 -0.92 0.00 0.00 175.35 174.99 3jrb n PRO 26 N -0.08 0.87 -0.22 -1.68 -0.04 -1.26 -1.60 135.00 130.99 3jrb n PRO 26 Ca -0.00 0.32 0.03 0.00 -0.04 0.00 0.00 63.50 63.81 3jrb n PRO 26 Cb 0.52 -1.81 0.14 0.00 -0.04 0.00 0.00 33.50 32.31 3jrb n PRO 26 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3jrb h LEU 27 N 0.93 -0.08 -0.23 1.53 5.85 -0.49 -2.30 115.31 120.52 3jrb h LEU 27 Ca -0.44 0.14 0.04 0.00 0.84 0.00 0.00 57.88 58.46 3jrb h LEU 27 Cb 1.37 0.21 -0.04 0.00 0.37 0.00 0.00 40.66 42.57 3jrb h LEU 27 CO 0.53 -0.05 -0.08 0.54 -0.34 0.00 0.00 178.44 179.04 3jrb n ARG 28 N -5.19 -0.04 0.01 1.25 1.74 -1.26 0.13 116.66 113.30 3jrb n ARG 28 Ca 0.11 0.36 -0.06 0.00 -0.77 0.00 0.00 57.85 57.50 3jrb n ARG 28 Cb 0.39 -0.54 0.14 0.00 -1.02 0.00 0.00 32.46 31.44 3jrb n ARG 28 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 3jrb h ASP 29 N 0.00 0.52 0.57 0.55 3.32 -1.77 0.35 116.42 119.96 3jrb h ASP 29 Ca 0.09 -0.22 -0.02 0.00 0.02 0.00 0.00 57.03 56.91 3jrb h ASP 29 Cb 0.15 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 3jrb h ASP 29 CO -0.23 0.84 -0.49 0.28 -1.72 0.00 0.00 179.24 177.92 3jrb h SER 30 N 0.42 -1.31 -1.00 6.45 0.02 0.90 0.91 113.55 119.94 3jrb h SER 30 Ca 0.04 0.10 0.23 0.00 -0.84 0.00 0.00 61.79 61.32 3jrb h SER 30 Cb 0.83 0.42 -0.10 0.00 0.14 0.00 0.00 62.40 63.69 3jrb h SER 30 CO 0.07 -0.68 0.63 0.58 -1.14 0.00 0.00 176.83 176.29 3jrb h VAL 31 N -1.03 0.60 0.54 2.27 2.07 -1.30 0.34 116.25 119.75 3jrb h VAL 31 Ca -0.07 -0.19 -0.03 0.00 0.82 0.00 0.00 66.70 67.24 3jrb h VAL 31 Cb 0.88 0.02 0.01 0.00 -1.52 0.00 0.00 31.29 30.67 3jrb h VAL 31 CO -0.02 0.10 -0.26 0.50 0.02 0.00 0.00 177.57 177.91 3jrb h LYS 32 N 0.54 -0.70 0.00 1.57 3.64 0.13 -2.87 116.57 118.88 3jrb h LYS 32 Ca 0.58 0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.99 3jrb h LYS 32 Cb 1.23 0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 33.21 3jrb h LYS 32 CO -0.34 -0.47 -0.09 0.37 -2.27 0.00 0.00 179.45 176.65 3jrb h GLN 33 N -0.84 0.00 -0.44 1.90 4.15 0.12 -2.00 115.11 118.00 3jrb h GLN 33 Ca -0.07 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.35 3jrb h GLN 33 Cb 0.56 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.23 3jrb h GLN 33 CO 0.12 0.09 0.29 0.00 -1.93 0.00 0.00 178.83 177.40 3jrb h ALA 34 N 1.91 0.56 -0.02 3.38 0.00 -0.33 -2.31 119.26 122.45 3jrb h ALA 34 Ca -0.00 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.71 3jrb h ALA 34 Cb 0.17 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3jrb h ALA 34 CO 0.01 0.02 -0.71 -0.07 0.00 0.00 0.00 179.25 178.51 3jrb h LEU 35 N 0.59 0.16 -0.02 0.00 3.38 -1.21 -2.11 115.31 116.10 3jrb h LEU 35 Ca 0.16 -0.10 0.01 0.00 0.09 0.00 0.00 57.88 58.04 3jrb h LEU 35 Cb -0.05 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3jrb h LEU 35 CO -0.03 0.81 -0.03 0.50 0.09 0.00 0.00 178.44 179.77 3jrb h LYS 36 N 0.09 -0.05 -0.18 1.13 3.11 -1.12 -1.32 116.57 118.23 3jrb h LYS 36 Ca -0.02 0.00 -0.08 0.00 -2.81 0.00 0.00 60.65 57.75 3jrb h LYS 36 Cb 1.25 0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 32.48 3jrb h LYS 36 CO 0.10 -0.03 -0.23 -0.97 -2.81 0.00 0.00 179.45 175.51 3jrb h ASN 37 N -0.05 0.32 -0.26 4.20 -1.24 -1.42 -0.90 115.58 116.23 3jrb h ASN 37 Ca 0.02 -0.09 -0.06 0.00 0.71 0.00 0.00 56.30 56.88 3jrb h ASN 37 Cb 0.08 -0.09 -0.02 0.00 0.73 0.00 0.00 38.32 39.03 3jrb h ASN 37 CO -0.05 0.56 -0.01 0.22 -1.29 0.00 0.00 177.43 176.85 3jrb h TYR 38 N 0.29 0.62 -0.00 0.67 5.03 -1.04 -2.27 116.97 120.27 3jrb h TYR 38 Ca 0.05 -0.07 -0.00 0.00 2.58 0.00 0.00 58.73 61.29 3jrb h TYR 38 Cb 0.57 -0.18 0.00 0.00 1.55 0.00 0.00 36.73 38.67 3jrb h TYR 38 CO 0.01 0.61 -0.00 0.74 -1.32 0.00 0.00 178.16 178.20 3jrb h PHE 39 N 0.56 0.00 -0.15 -3.82 0.04 -0.85 -3.06 116.94 109.66 3jrb h PHE 39 Ca 0.12 -0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.91 3jrb h PHE 39 Cb 0.38 -0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.49 3jrb h PHE 39 CO 0.01 0.64 -0.28 0.00 -0.60 0.00 0.00 178.31 178.09 3jrb h ALA 40 N 0.36 -0.59 0.00 2.45 0.00 -1.00 -0.71 119.26 119.77 3jrb h ALA 40 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3jrb h ALA 40 Cb 0.64 0.87 0.00 0.00 0.00 0.00 0.00 17.79 19.30 3jrb h ALA 40 CO 0.00 -0.71 0.00 0.94 0.00 0.00 0.00 179.25 179.48 3jrb n GLN 41 N -4.03 0.99 -2.69 0.00 -0.06 -0.87 -4.63 117.38 106.09 3jrb n GLN 41 Ca -0.02 0.00 -0.27 0.00 -2.00 0.00 0.00 57.00 54.70 3jrb n GLN 41 Cb 0.18 -1.18 -0.00 0.00 -4.06 0.00 0.00 30.24 25.18 3jrb n GLN 41 CO 0.00 0.00 0.00 -1.17 -0.20 0.00 0.00 177.06 175.69 3jrb s LEU 42 N -1.36 3.66 -0.30 1.69 2.96 -0.27 -5.08 118.68 119.98 3jrb s LEU 42 Ca 0.17 0.90 -0.08 0.00 -0.22 0.00 0.00 54.13 54.90 3jrb s LEU 42 Cb 0.08 -3.85 0.18 0.00 0.50 0.00 0.00 46.19 43.10 3jrb s LEU 42 CO 0.13 -0.55 0.83 0.21 -1.32 0.00 0.00 176.35 175.65 3jrb s ASN 43 N -4.07 -0.91 0.00 3.68 3.04 -1.26 -4.93 114.94 110.49 3jrb s ASN 43 Ca 0.47 0.69 0.00 0.00 0.04 0.00 0.00 52.86 54.06 3jrb s ASN 43 Cb -0.10 1.81 0.00 0.00 -1.54 0.00 0.00 41.25 41.42 3jrb s ASN 43 CO 0.44 -0.17 0.00 0.61 -3.04 0.00 0.00 177.10 174.94 3jrb n GLY 44 N 5.39 1.71 3.77 1.21 0.00 -1.26 -5.04 105.19 110.98 3jrb n GLY 44 Ca -0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.50 3.91 -0.19 1.61 1.11 -1.26 -4.94 119.66 119.40 3jrb s GLN 45 Ca 0.00 1.98 -0.28 0.00 0.01 0.00 0.00 55.36 57.06 3jrb s GLN 45 Cb 0.00 -2.64 -0.05 0.00 -1.01 0.00 0.00 33.01 29.31 3jrb s GLN 45 CO 0.00 -0.48 2.06 0.34 0.01 0.00 0.00 175.29 177.22 3jrb s ASP 46 N -1.01 5.77 -0.51 5.90 -1.08 -1.26 -4.95 116.67 119.54 3jrb s ASP 46 Ca 0.59 1.91 0.03 0.00 -0.52 0.00 0.00 52.55 54.56 3jrb s ASP 46 Cb -0.34 -2.52 0.13 0.00 -1.46 0.00 0.00 42.92 38.73 3jrb s ASP 46 CO 0.42 -1.71 0.26 -0.69 0.52 0.00 0.00 175.17 173.97 3jrb s VAL 47 N 7.17 2.73 -2.07 1.11 1.01 -1.26 -4.96 120.40 124.13 3jrb s VAL 47 Ca 0.93 -3.11 0.19 0.00 0.00 0.00 0.00 61.98 60.00 3jrb s VAL 47 Cb -0.32 -2.89 0.35 0.00 0.00 0.00 0.00 36.38 33.52 3jrb s VAL 47 CO 0.35 -0.78 1.29 -0.46 0.00 0.00 0.00 175.10 175.51 3jrb n ASN 48 N 3.35 3.16 -1.08 3.32 0.23 -1.26 -4.63 115.26 118.36 3jrb n ASN 48 Ca 0.05 -1.92 0.01 0.00 -0.53 0.00 0.00 54.58 52.19 3jrb n ASN 48 Cb 0.35 -0.21 -0.00 0.00 -2.08 0.00 0.00 39.78 37.83 3jrb n ASN 48 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 3jrb n ASP 49 N 1.22 0.31 0.06 0.53 5.75 -1.26 -4.94 116.55 118.22 3jrb n ASP 49 Ca 0.16 -1.91 0.01 0.00 -0.01 0.00 0.00 54.79 53.04 3jrb n ASP 49 Cb 0.53 -0.14 0.36 0.00 -1.03 0.00 0.00 41.12 40.84 3jrb n ASP 49 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 3jrb h LEU 50 N 0.49 0.35 0.59 -2.12 5.85 -2.01 -2.57 115.31 115.89 3jrb h LEU 50 Ca -0.22 -0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.41 3jrb h LEU 50 Cb 1.61 -0.09 0.01 0.00 0.37 0.00 0.00 40.66 42.56 3jrb h LEU 50 CO -0.00 0.45 -0.28 0.22 -0.34 0.00 0.00 178.44 178.48 3jrb h TYR 51 N 0.36 -0.73 -0.55 1.25 3.20 -1.98 -2.75 116.97 115.76 3jrb h TYR 51 Ca 0.08 -0.02 0.07 0.00 3.14 0.00 0.00 58.73 62.00 3jrb h TYR 51 Cb 0.32 0.24 -0.06 0.00 1.54 0.00 0.00 36.73 38.78 3jrb h TYR 51 CO 0.01 -0.40 0.23 1.49 -1.64 0.00 0.00 178.16 177.85 3jrb h GLU 52 N -1.00 0.42 -0.30 1.82 4.57 -1.94 0.14 114.58 118.30 3jrb h GLU 52 Ca -0.08 -0.03 0.06 0.00 -1.18 0.00 0.00 59.36 58.14 3jrb h GLU 52 Cb 0.66 -0.10 -0.06 0.00 -0.16 0.00 0.00 28.75 29.09 3jrb h GLU 52 CO 0.13 0.28 -0.12 1.25 -1.18 0.00 0.00 179.01 179.37 3jrb h LEU 53 N 0.44 -0.42 0.03 1.64 5.85 -1.45 0.19 115.31 121.58 3jrb h LEU 53 Ca 0.26 0.11 0.03 0.00 0.84 0.00 0.00 57.88 59.12 3jrb h LEU 53 Cb 0.25 0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.48 3jrb h LEU 53 CO -0.23 -0.16 -0.31 0.58 -0.34 0.00 0.00 178.44 177.98 3jrb h VAL 54 N -0.07 0.33 0.27 1.05 2.07 -1.13 -2.54 116.25 116.23 3jrb h VAL 54 Ca 0.15 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.67 3jrb h VAL 54 Cb 0.30 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 3jrb h VAL 54 CO -0.35 0.00 -0.37 0.25 0.02 0.00 0.00 177.57 177.12 3jrb h LEU 55 N -0.48 -1.05 -0.09 2.57 5.85 -0.07 0.42 115.31 122.46 3jrb h LEU 55 Ca 0.05 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.87 3jrb h LEU 55 Cb 0.55 0.36 0.00 0.00 0.37 0.00 0.00 40.66 41.94 3jrb h LEU 55 CO -0.24 -0.45 0.16 0.00 -0.34 0.00 0.00 178.44 177.57 3jrb n ALA 56 N -2.70 0.69 0.11 1.25 0.00 0.57 0.12 120.51 120.55 3jrb n ALA 56 Ca -0.08 0.01 0.07 0.00 0.00 0.00 0.00 53.44 53.45 3jrb n ALA 56 Cb 0.32 -0.71 0.01 0.00 0.00 0.00 0.00 19.45 19.07 3jrb n ALA 56 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3jrb h GLU 57 N 0.00 0.00 0.00 0.00 4.57 0.27 -3.36 114.58 116.06 3jrb h GLU 57 Ca 0.00 0.00 -0.29 0.00 -1.18 0.00 0.00 59.36 57.89 3jrb h GLU 57 Cb 0.32 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 28.86 3jrb h GLU 57 CO 0.00 0.15 -2.11 0.28 -1.18 0.00 0.00 179.01 176.15 3jrb n VAL 58 N -2.90 1.11 0.10 0.32 0.31 0.32 -4.47 118.33 113.13 3jrb n VAL 58 Ca -0.01 -0.55 -0.13 0.00 -0.01 0.00 0.00 64.34 63.63 3jrb n VAL 58 Cb 0.65 -0.90 -0.08 0.00 -0.91 0.00 0.00 33.84 32.60 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 -0.20 -0.36 5.55 5.08 -1.15 -3.07 114.58 120.43 3jrb h GLU 59 Ca -0.44 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 57.97 3jrb h GLU 59 Cb 1.83 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 31.08 3jrb h GLU 59 CO -0.02 0.02 -0.21 0.94 -1.00 0.00 0.00 179.01 178.73 3jrb n GLN 60 N -5.10 -0.16 -0.03 2.33 7.27 -1.26 -1.27 117.38 119.16 3jrb n GLN 60 Ca -0.09 1.11 -0.11 0.00 0.07 0.00 0.00 57.00 57.98 3jrb n GLN 60 Cb 0.17 -1.65 -0.05 0.00 2.41 0.00 0.00 30.24 31.12 3jrb n GLN 60 CO 0.00 0.00 0.00 -1.35 0.07 0.00 0.00 177.06 175.78 3jrb h PRO 61 N 0.00 0.20 -0.92 3.69 0.11 -1.79 0.31 132.00 133.58 3jrb h PRO 61 Ca 0.06 -0.03 0.22 0.00 0.11 0.00 0.00 66.00 66.35 3jrb h PRO 61 Cb 0.15 -0.03 -0.17 0.00 0.11 0.00 0.00 31.00 31.05 3jrb h PRO 61 CO -0.34 0.28 -0.09 1.25 -0.21 0.00 0.00 178.00 178.89 3jrb h LEU 62 N 0.07 -0.62 0.05 2.35 5.85 -1.34 1.84 115.31 123.52 3jrb h LEU 62 Ca 0.05 0.26 -0.00 0.00 0.84 0.00 0.00 57.88 59.03 3jrb h LEU 62 Cb 0.15 0.50 0.00 0.00 0.37 0.00 0.00 40.66 41.68 3jrb h LEU 62 CO -0.00 -0.30 -0.02 -0.07 -0.34 0.00 0.00 178.44 177.70 3jrb h LEU 63 N 0.02 -0.06 -0.84 2.25 3.38 -0.53 -0.42 115.31 119.11 3jrb h LEU 63 Ca 0.50 -0.49 0.17 0.00 0.09 0.00 0.00 57.88 58.16 3jrb h LEU 63 Cb 0.91 0.01 -0.16 0.00 0.09 0.00 0.00 40.66 41.52 3jrb h LEU 63 CO -0.89 0.48 -0.18 -0.78 0.09 0.00 0.00 178.44 177.15 3jrb h ASP 64 N -0.62 -0.74 0.11 -0.43 1.82 0.17 -1.42 116.42 115.32 3jrb h ASP 64 Ca -0.01 0.25 -0.23 0.00 -0.39 0.00 0.00 57.03 56.65 3jrb h ASP 64 Cb 0.54 0.51 0.02 0.00 0.68 0.00 0.00 39.33 41.08 3jrb h ASP 64 CO 0.01 -0.27 -0.98 -0.03 -1.61 0.00 0.00 179.24 176.36 3jrb h MET 65 N 0.01 0.47 -0.38 0.28 4.05 0.27 -3.09 114.93 116.54 3jrb h MET 65 Ca 0.41 -0.65 -0.01 0.00 -0.28 0.00 0.00 59.70 59.17 3jrb h MET 65 Cb 0.65 0.22 -0.02 0.00 -0.80 0.00 0.00 31.60 31.65 3jrb h MET 65 CO -0.85 1.28 0.20 0.28 0.23 0.00 0.00 176.91 178.05 3jrb h VAL 66 N -0.03 1.16 -0.69 -5.77 2.07 -0.68 -2.15 116.25 110.16 3jrb h VAL 66 Ca -0.15 -0.42 0.04 0.00 0.82 0.00 0.00 66.70 66.99 3jrb h VAL 66 Cb 1.71 0.74 -0.05 0.00 -1.52 0.00 0.00 31.29 32.18 3jrb h VAL 66 CO 0.19 0.16 0.42 0.24 0.02 0.00 0.00 177.57 178.60 3jrb h MET 67 N 0.48 0.77 -0.51 1.57 2.07 -1.38 -1.61 114.93 116.33 3jrb h MET 67 Ca 0.13 -0.05 -0.01 0.00 -2.07 0.00 0.00 59.70 57.71 3jrb h MET 67 Cb 0.08 -0.17 -0.03 0.00 -1.87 0.00 0.00 31.60 29.61 3jrb h MET 67 CO -0.02 0.51 0.30 0.37 1.07 0.00 0.00 176.91 179.14 3jrb h GLN 68 N 0.80 0.69 0.00 1.72 4.15 -1.42 -0.68 115.11 120.37 3jrb h GLN 68 Ca 0.29 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.65 3jrb h GLN 68 Cb 0.08 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 27.63 3jrb h GLN 68 CO -0.14 0.50 0.00 0.98 -1.93 0.00 0.00 178.83 178.24 3jrb n TYR 69 N -4.42 0.84 -0.83 3.99 9.36 -0.68 -2.79 117.16 122.64 3jrb n TYR 69 Ca 0.04 0.26 0.08 0.00 3.32 0.00 0.00 57.90 61.60 3jrb n TYR 69 Cb 0.08 -0.92 0.20 0.00 -0.63 0.00 0.00 39.34 38.08 3jrb n TYR 69 CO 0.00 0.00 0.00 0.25 0.22 0.00 0.00 176.86 177.33 3jrb n THR 70 N -2.20 1.94 -3.96 2.97 -2.24 -0.77 -4.98 114.28 105.04 3jrb n THR 70 Ca 0.05 -1.78 -0.29 0.00 -2.27 0.00 0.00 64.05 59.76 3jrb n THR 70 Cb 0.40 -0.10 -0.05 0.00 -2.10 0.00 0.00 70.33 68.48 3jrb n THR 70 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3jrb n ARG 71 N -0.55 -0.76 0.00 -0.78 1.74 -0.82 -1.29 116.66 114.20 3jrb n ARG 71 Ca 0.18 0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.28 3jrb n ARG 71 Cb 0.73 -2.42 0.00 0.00 -1.02 0.00 0.00 32.46 29.75 3jrb n ARG 71 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3jrb n GLY 72 N -2.11 1.21 3.60 -0.13 0.00 -0.32 -5.03 105.19 102.40 3jrb n GLY 72 Ca -0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.16 6.60 0.02 1.61 3.84 -0.41 -4.91 114.94 119.52 3jrb s ASN 73 Ca 0.00 0.47 -0.27 0.00 0.21 0.00 0.00 52.86 53.27 3jrb s ASN 73 Cb 0.00 -2.55 -0.16 0.00 -0.55 0.00 0.00 41.25 37.99 3jrb s ASN 73 CO 0.00 -1.28 1.23 1.56 -2.79 0.00 0.00 177.10 175.82 3jrb h GLN 74 N 9.35 -0.68 -1.29 0.43 4.20 -1.96 -2.93 115.11 122.23 3jrb h GLN 74 Ca -0.23 0.05 0.38 0.00 0.06 0.00 0.00 58.65 58.90 3jrb h GLN 74 Cb 1.06 0.16 -0.09 0.00 0.30 0.00 0.00 27.48 28.91 3jrb h GLN 74 CO 1.13 -0.38 0.88 1.15 -0.67 0.00 0.00 178.83 180.94 3jrb h THR 75 N -0.98 0.30 0.20 -0.54 2.02 -1.97 0.29 112.91 112.23 3jrb h THR 75 Ca -0.07 -0.05 -0.01 0.00 0.77 0.00 0.00 66.41 67.05 3jrb h THR 75 Cb 0.62 0.16 0.00 0.00 -1.74 0.00 0.00 68.15 67.19 3jrb h THR 75 CO 0.12 0.02 -0.10 0.03 0.37 0.00 0.00 175.52 175.97 3jrb h ARG 76 N 0.13 -0.26 -0.76 6.66 2.47 -1.98 -2.63 114.38 118.01 3jrb h ARG 76 Ca 0.70 0.02 0.17 0.00 -1.26 0.00 0.00 59.98 59.61 3jrb h ARG 76 Cb 2.35 0.06 -0.13 0.00 -1.65 0.00 0.00 29.97 30.59 3jrb h ARG 76 CO -0.21 -0.07 -0.00 0.00 0.56 0.00 0.00 179.97 180.25 3jrb h ALA 77 N -0.91 0.79 -0.46 0.04 0.00 -0.39 1.84 119.26 120.16 3jrb h ALA 77 Ca -0.03 0.25 0.03 0.00 0.00 0.00 0.00 54.91 55.16 3jrb h ALA 77 Cb 0.31 0.43 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 3jrb h ALA 77 CO 0.05 -0.43 0.25 0.00 0.00 0.00 0.00 179.25 179.12 3jrb h ALA 78 N 1.72 0.58 -0.45 0.00 0.00 -0.79 0.87 119.26 121.19 3jrb h ALA 78 Ca 0.42 0.01 -0.14 0.00 0.00 0.00 0.00 54.91 55.20 3jrb h ALA 78 Cb 0.73 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 3jrb h ALA 78 CO -0.68 -0.09 -0.25 1.25 0.00 0.00 0.00 179.25 179.48 3jrb h LEU 79 N 0.49 1.00 -0.38 0.00 6.46 0.19 -1.26 115.31 121.82 3jrb h LEU 79 Ca 0.20 -0.41 -0.05 0.00 -0.12 0.00 0.00 57.88 57.49 3jrb h LEU 79 Cb 0.08 -0.28 -0.01 0.00 -0.73 0.00 0.00 40.66 39.71 3jrb h LEU 79 CO -0.12 1.20 0.02 -0.03 -0.62 0.00 0.00 178.44 178.89 3jrb h MET 80 N 0.81 0.66 0.00 1.25 4.05 0.32 -2.59 114.93 119.42 3jrb h MET 80 Ca 0.10 -0.20 0.00 0.00 -0.28 0.00 0.00 59.70 59.32 3jrb h MET 80 Cb 0.83 -0.07 0.00 0.00 -0.80 0.00 0.00 31.60 31.57 3jrb h MET 80 CO 0.07 0.74 0.00 -1.33 0.23 0.00 0.00 176.91 176.62 3jrb n MET 81 N -4.50 0.26 -3.42 0.39 2.81 0.30 -4.89 117.12 108.08 3jrb n MET 81 Ca -0.01 0.11 -0.17 0.00 -1.81 0.00 0.00 57.70 55.81 3jrb n MET 81 Cb 0.26 -1.50 0.08 0.00 -0.71 0.00 0.00 33.22 31.35 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 0.37 -0.51 3.17 3.03 0.00 -0.96 -5.05 105.19 105.23 3jrb n GLY 82 Ca 0.09 0.19 -0.12 0.00 0.00 0.00 0.00 46.02 46.18 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 -3.39 0.05 0.35 -0.61 -4.36 -0.51 -5.05 121.20 107.68 3jrb s ILE 83 Ca 0.09 -0.38 -0.27 0.00 -0.26 0.00 0.00 60.65 59.83 3jrb s ILE 83 Cb -0.01 -0.47 -0.12 0.00 1.25 0.00 0.00 42.46 43.10 3jrb s ILE 83 CO 0.74 -0.21 1.09 -3.20 0.24 0.00 0.00 174.94 173.60 3jrb n ASN 84 N 1.90 1.70 -0.03 4.36 4.05 -1.26 -4.34 115.26 121.64 3jrb n ASN 84 Ca -0.19 1.14 -0.00 0.00 0.45 0.00 0.00 54.58 55.98 3jrb n ASN 84 Cb 0.57 -1.37 0.29 0.00 1.23 0.00 0.00 39.78 40.50 3jrb n ASN 84 CO 0.00 0.00 0.00 -0.09 -3.05 0.00 0.00 177.26 174.12 3jrb h ARG 85 N 1.99 0.60 0.19 1.20 2.43 -1.96 -1.67 114.38 117.17 3jrb h ARG 85 Ca -0.43 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 58.63 3jrb h ARG 85 Cb 1.32 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.76 3jrb h ARG 85 CO 0.60 0.57 -0.18 0.78 -1.51 0.00 0.00 179.97 180.23 3jrb h GLY 86 N 0.83 -0.39 2.00 2.80 0.00 -2.00 -2.06 103.07 104.25 3jrb h GLY 86 Ca 0.13 0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.67 3jrb h GLY 86 CO -0.00 -0.18 0.00 -0.91 0.00 0.00 0.00 176.54 175.45 3jrb h THR 87 N -0.40 0.00 -0.16 4.70 1.35 -1.74 -1.06 112.91 115.60 3jrb h THR 87 Ca 0.00 -0.30 -0.08 0.00 -0.55 0.00 0.00 66.41 65.48 3jrb h THR 87 Cb 0.37 1.28 -0.00 0.00 -1.73 0.00 0.00 68.15 68.07 3jrb h THR 87 CO -0.04 0.00 -0.22 0.25 -0.25 0.00 0.00 175.52 175.26 3jrb h LEU 88 N 0.00 0.47 -0.64 3.87 5.85 -0.92 -2.47 115.31 121.48 3jrb h LEU 88 Ca 0.00 -0.51 -0.05 0.00 0.84 0.00 0.00 57.88 58.16 3jrb h LEU 88 Cb 0.31 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 3jrb h LEU 88 CO 0.00 0.89 0.22 0.03 -0.34 0.00 0.00 178.44 179.24 3jrb h ARG 89 N 0.06 0.97 -0.18 1.25 3.08 -0.58 -0.83 114.38 118.16 3jrb h ARG 89 Ca 0.02 -0.20 0.05 0.00 0.07 0.00 0.00 59.98 59.92 3jrb h ARG 89 Cb 0.78 -0.15 -0.07 0.00 0.08 0.00 0.00 29.97 30.61 3jrb h ARG 89 CO 0.05 0.84 -0.42 -0.22 -1.07 0.00 0.00 179.97 179.15 3jrb h LYS 90 N 0.91 -0.45 -0.92 0.04 3.64 -1.22 -0.73 116.57 117.84 3jrb h LYS 90 Ca 0.21 0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.63 3jrb h LYS 90 Cb 0.26 0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 32.13 3jrb h LYS 90 CO -0.01 -0.30 0.61 0.87 -2.27 0.00 0.00 179.45 178.35 3jrb h LYS 91 N -0.46 1.19 0.28 1.90 1.57 -0.91 -1.96 116.57 118.18 3jrb h LYS 91 Ca 0.09 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 3jrb h LYS 91 Cb 0.62 -0.27 -0.00 0.00 0.08 0.00 0.00 32.23 32.66 3jrb h LYS 91 CO -0.43 0.79 -0.17 -0.07 -0.57 0.00 0.00 179.45 179.00 3jrb h LEU 92 N 1.22 -0.41 -0.87 2.94 3.38 -0.55 -2.42 115.31 118.60 3jrb h LEU 92 Ca 0.34 0.02 0.36 0.00 0.09 0.00 0.00 57.88 58.69 3jrb h LEU 92 Cb -0.11 0.12 -0.16 0.00 0.09 0.00 0.00 40.66 40.60 3jrb h LEU 92 CO -0.08 -0.26 0.43 1.17 0.09 0.00 0.00 178.44 179.79 3jrb n LYS 93 N -3.27 -0.05 -0.33 1.13 4.81 -0.34 0.75 118.16 120.87 3jrb n LYS 93 Ca -0.05 1.22 0.06 0.00 -0.87 0.00 0.00 58.31 58.66 3jrb n LYS 93 Cb 0.17 -2.16 0.25 0.00 0.02 0.00 0.00 35.03 33.31 3jrb n LYS 93 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 3jrb h LYS 94 N 0.00 0.97 -0.38 1.64 3.64 -0.86 -2.82 116.57 118.75 3jrb h LYS 94 Ca 0.73 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 60.05 3jrb h LYS 94 Cb 1.89 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 33.49 3jrb h LYS 94 CO -0.69 0.64 0.00 0.66 -2.27 0.00 0.00 179.45 177.79 3jrb n TYR 95 N -4.54 0.74 0.00 1.91 4.01 0.23 -5.06 117.16 114.45 3jrb n TYR 95 Ca 0.16 -0.61 0.00 0.00 -0.16 0.00 0.00 57.90 57.29 3jrb n TYR 95 Cb 0.28 -0.13 0.00 0.00 -0.31 0.00 0.00 39.34 39.19 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 0.39 2.34 2.83 2.72 0.00 -0.72 -4.93 105.19 107.82 3jrb n GLY 96 Ca 0.17 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 10.13 -1.82 0.00 1.61 2.81 -1.26 -3.25 117.12 125.34 3jrb n MET 97 Ca 0.00 0.35 0.04 0.00 -1.81 0.00 0.00 57.70 56.28 3jrb n MET 97 Cb 0.00 -4.34 0.25 0.00 -0.71 0.00 0.00 33.22 28.42 3jrb n MET 97 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57