#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jrp n GLU 2 N 0.00 -1.11 -3.82 2.12 4.71 -1.26 -4.81 120.64 116.47 2jrp n GLU 2 Ca 0.00 0.73 -0.27 0.00 -0.01 0.00 0.00 57.16 57.61 2jrp n GLU 2 Cb 0.00 -1.36 -0.17 0.00 -1.01 0.00 0.00 31.44 28.91 2jrp n GLU 2 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 2jrp s ILE 3 N -0.85 0.82 0.05 -3.67 1.01 -1.26 -5.11 121.20 112.18 2jrp s ILE 3 Ca 0.00 -0.51 0.01 0.00 0.00 0.00 0.00 60.65 60.14 2jrp s ILE 3 Cb 0.00 -1.11 -0.03 0.00 0.01 0.00 0.00 42.46 41.33 2jrp s ILE 3 CO 0.00 0.03 -0.05 0.42 0.00 0.00 0.00 174.94 175.34 2jrp s THR 4 N 1.75 0.36 0.28 2.92 -4.23 -1.26 -0.97 115.64 114.49 2jrp s THR 4 Ca 0.00 -1.39 -0.29 0.00 -1.18 0.00 0.00 61.69 58.83 2jrp s THR 4 Cb -0.16 -0.96 -0.10 0.00 1.34 0.00 0.00 72.50 72.62 2jrp s THR 4 CO -0.07 -0.68 1.39 0.00 -0.54 0.00 0.00 174.62 174.72 2jrp n PRO 6 N 1.68 0.19 -0.02 0.00 -0.02 -1.26 -3.38 135.00 132.20 2jrp n PRO 6 Ca 0.04 0.13 -0.04 0.00 -2.02 0.00 0.00 63.50 61.61 2jrp n PRO 6 Cb 0.41 -1.50 -0.01 0.00 -0.02 0.00 0.00 33.50 32.38 2jrp n PRO 6 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2jrp n VAL 7 N -1.19 1.20 -3.55 -1.45 0.31 -1.26 -4.91 118.33 107.47 2jrp n VAL 7 Ca 0.05 0.27 -0.41 0.00 -0.01 0.00 0.00 64.34 64.25 2jrp n VAL 7 Cb 0.06 -1.88 -0.07 0.00 -0.91 0.00 0.00 33.84 31.04 2jrp n VAL 7 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2jrp s HIS 9 N 0.70 1.90 0.00 0.00 2.46 -1.22 -3.56 115.29 115.57 2jrp s HIS 9 Ca 0.12 0.50 0.00 0.00 0.47 0.00 0.00 55.06 56.15 2jrp s HIS 9 Cb -0.21 -4.04 0.00 0.00 -0.13 0.00 0.00 32.58 28.20 2jrp s HIS 9 CO -0.03 -1.47 0.00 0.72 -2.47 0.00 0.00 174.74 171.48 2jrp n HIS 10 N 14.05 0.00 -3.49 3.88 8.25 -1.26 -5.01 115.22 131.64 2jrp n HIS 10 Ca 0.43 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.89 2jrp n HIS 10 Cb 0.47 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.53 2jrp n HIS 10 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2jrp s ALA 11 N -2.41 -2.63 -0.18 -1.41 0.00 -1.26 -4.96 121.76 108.90 2jrp s ALA 11 Ca 0.00 2.06 -0.08 0.00 0.00 0.00 0.00 51.96 53.94 2jrp s ALA 11 Cb 0.00 -1.96 -0.04 0.00 0.00 0.00 0.00 23.12 21.11 2jrp s ALA 11 CO 0.00 -0.67 0.09 -0.51 0.00 0.00 0.00 175.76 174.68 2jrp s LEU 12 N 1.83 4.00 -0.10 0.00 1.02 -0.14 -4.53 118.68 120.75 2jrp s LEU 12 Ca -0.05 0.16 -0.14 0.00 0.02 0.00 0.00 54.13 54.12 2jrp s LEU 12 Cb -0.04 -2.02 -0.05 0.00 0.02 0.00 0.00 46.19 44.10 2jrp s LEU 12 CO -0.15 0.19 0.33 -0.70 0.02 0.00 0.00 176.35 176.03 2jrp s GLU 13 N 0.28 4.06 -0.21 1.70 2.12 -1.12 -4.76 118.70 120.78 2jrp s GLU 13 Ca 0.06 0.20 -0.11 0.00 0.36 0.00 0.00 54.97 55.47 2jrp s GLU 13 Cb -0.12 -3.34 -0.05 0.00 0.26 0.00 0.00 34.13 30.89 2jrp s GLU 13 CO -0.01 0.43 0.18 0.50 -0.54 0.00 0.00 175.26 175.82 2jrp s ARG 14 N -0.15 4.16 0.00 4.30 6.06 -1.26 -0.65 118.95 131.41 2jrp s ARG 14 Ca 0.19 -0.16 0.14 0.00 -2.50 0.00 0.00 55.73 53.40 2jrp s ARG 14 Cb -0.14 -3.47 0.11 0.00 0.06 0.00 0.00 34.95 31.52 2jrp s ARG 14 CO 0.07 0.19 0.95 -1.71 -2.50 0.00 0.00 175.30 172.31 2jrp n ASN 15 N 3.83 2.19 0.00 -2.12 5.15 -0.92 -5.02 115.26 118.37 2jrp n ASN 15 Ca -0.15 -1.59 0.00 0.00 -0.60 0.00 0.00 54.58 52.24 2jrp n ASN 15 Cb 0.52 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.77 2jrp n ASN 15 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2jrp n GLY 16 N 0.80 1.58 5.00 8.20 0.00 -1.26 -4.87 105.19 114.65 2jrp n GLY 16 Ca 0.08 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.65 2jrp n GLY 16 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2jrp n ASP 17 N -0.05 0.00 -4.34 1.61 2.03 -1.26 -4.79 116.55 109.75 2jrp n ASP 17 Ca 0.00 0.00 -0.29 0.00 0.52 0.00 0.00 54.79 55.02 2jrp n ASP 17 Cb 0.00 0.00 -0.14 0.00 -0.72 0.00 0.00 41.12 40.26 2jrp n ASP 17 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2jrp s THR 18 N 0.00 2.08 -0.12 5.18 2.01 -1.26 -0.23 115.64 123.31 2jrp s THR 18 Ca 0.00 -1.40 -0.01 0.00 0.31 0.00 0.00 61.69 60.59 2jrp s THR 18 Cb 0.00 -1.79 -0.02 0.00 0.01 0.00 0.00 72.50 70.69 2jrp s THR 18 CO 0.00 0.31 -0.08 0.00 -0.69 0.00 0.00 174.62 174.16 2jrp s ALA 19 N -0.83 2.87 -0.12 7.40 0.00 0.87 -2.17 121.76 129.77 2jrp s ALA 19 Ca 0.11 -0.87 -0.16 0.00 0.00 0.00 0.00 51.96 51.04 2jrp s ALA 19 Cb -0.10 -1.33 -0.04 0.00 0.00 0.00 0.00 23.12 21.64 2jrp s ALA 19 CO 0.02 0.34 0.41 -1.58 0.00 0.00 0.00 175.76 174.95 2jrp s HIS 20 N -0.03 3.51 -0.29 0.00 2.46 0.17 -0.33 115.29 120.78 2jrp s HIS 20 Ca -0.01 0.79 -0.21 0.00 0.47 0.00 0.00 55.06 56.11 2jrp s HIS 20 Cb -0.14 -2.46 -0.01 0.00 -0.13 0.00 0.00 32.58 29.85 2jrp s HIS 20 CO 0.03 0.23 0.64 0.00 -2.47 0.00 0.00 174.74 173.18 2jrp n GLU 22 N 5.87 0.00 -1.90 0.00 -0.00 -1.26 -3.18 120.64 120.17 2jrp n GLU 22 Ca -0.01 0.00 -0.40 0.00 -0.00 0.00 0.00 57.16 56.76 2jrp n GLU 22 Cb 0.49 -0.18 0.01 0.00 -0.00 0.00 0.00 31.44 31.75 2jrp n GLU 22 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.13 178.08 2jrp s THR 23 N 0.00 2.29 0.00 3.84 -4.23 -1.26 -2.42 115.64 113.85 2jrp s THR 23 Ca 0.00 0.25 0.00 0.00 -1.18 0.00 0.00 61.69 60.76 2jrp s THR 23 Cb 0.00 -3.15 0.00 0.00 1.34 0.00 0.00 72.50 70.69 2jrp s THR 23 CO 0.00 0.04 0.00 0.00 -0.54 0.00 0.00 174.62 174.12 2jrp n ALA 25 N 0.00 -0.74 -2.85 0.00 0.00 -1.02 -4.98 120.51 110.92 2jrp n ALA 25 Ca 0.00 0.21 -0.35 0.00 0.00 0.00 0.00 53.44 53.30 2jrp n ALA 25 Cb 0.00 -2.78 -0.06 0.00 0.00 0.00 0.00 19.45 16.61 2jrp n ALA 25 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2jrp s LYS 26 N -5.27 3.32 -0.18 0.00 2.47 -1.21 -4.95 119.74 113.91 2jrp s LYS 26 Ca 0.10 -0.29 -0.03 0.00 -1.56 0.00 0.00 55.97 54.19 2jrp s LYS 26 Cb -0.05 -3.06 -0.02 0.00 -1.46 0.00 0.00 37.83 33.25 2jrp s LYS 26 CO 0.13 0.71 -0.05 -0.51 0.16 0.00 0.00 175.35 175.79 2jrp s ASP 27 N -1.46 4.45 -0.44 1.43 1.01 -1.26 0.26 116.67 120.66 2jrp s ASP 27 Ca 0.20 -0.28 -0.13 0.00 0.71 0.00 0.00 52.55 53.05 2jrp s ASP 27 Cb -0.12 -1.74 0.07 0.00 1.01 0.00 0.00 42.92 42.13 2jrp s ASP 27 CO 0.11 0.07 0.33 -0.36 0.21 0.00 0.00 175.17 175.53 2jrp s PHE 28 N 0.92 3.27 -0.12 4.23 0.08 0.55 -4.95 117.98 121.96 2jrp s PHE 28 Ca -0.01 -1.08 -0.26 0.00 0.12 0.00 0.00 56.93 55.71 2jrp s PHE 28 Cb -0.15 -3.00 -0.02 0.00 -0.57 0.00 0.00 43.02 39.29 2jrp s PHE 28 CO 0.01 -0.78 0.86 -1.12 -0.10 0.00 0.00 175.22 174.09 2jrp s SER 29 N 2.30 7.06 -0.12 1.36 0.01 -1.26 -0.09 113.70 122.95 2jrp s SER 29 Ca 0.04 1.29 -0.05 0.00 1.31 0.00 0.00 55.95 58.54 2jrp s SER 29 Cb -0.23 -2.48 -0.04 0.00 0.21 0.00 0.00 66.02 63.48 2jrp s SER 29 CO 0.06 -0.35 0.05 -0.76 0.41 0.00 0.00 173.24 172.65 2jrp s LEU 30 N 1.80 3.86 -0.03 2.44 1.02 0.69 -2.94 118.68 125.52 2jrp s LEU 30 Ca 0.41 0.22 0.02 0.00 0.02 0.00 0.00 54.13 54.81 2jrp s LEU 30 Cb -0.17 -1.92 -0.03 0.00 0.02 0.00 0.00 46.19 44.08 2jrp s LEU 30 CO 0.16 0.34 -0.08 -1.10 0.02 0.00 0.00 176.35 175.69 2jrp s GLN 31 N -0.61 2.61 -0.51 1.70 -0.21 0.59 -4.78 119.66 118.46 2jrp s GLN 31 Ca 0.11 -0.66 -0.25 0.00 0.02 0.00 0.00 55.36 54.58 2jrp s GLN 31 Cb -0.12 -2.52 0.03 0.00 1.00 0.00 0.00 33.01 31.41 2jrp s GLN 31 CO 0.02 0.63 0.93 0.00 -2.12 0.00 0.00 175.29 174.75 2jrp s ALA 32 N -0.90 3.20 0.24 6.09 0.00 -1.26 -1.25 121.76 127.87 2jrp s ALA 32 Ca 0.15 -1.02 0.09 0.00 0.00 0.00 0.00 51.96 51.18 2jrp s ALA 32 Cb -0.11 -3.68 -0.04 0.00 0.00 0.00 0.00 23.12 19.29 2jrp s ALA 32 CO 0.05 -2.22 -0.01 -0.51 0.00 0.00 0.00 175.76 173.07 2jrp s LEU 33 N 3.83 3.20 0.15 0.00 1.02 0.42 -4.53 118.68 122.77 2jrp s LEU 33 Ca 0.33 -0.59 -0.02 0.00 0.02 0.00 0.00 54.13 53.87 2jrp s LEU 33 Cb -0.11 -1.77 -0.05 0.00 0.02 0.00 0.00 46.19 44.28 2jrp s LEU 33 CO 0.23 0.03 0.35 0.00 0.02 0.00 0.00 176.35 176.97 2jrp h PRO 35 N 2.59 0.00 0.00 0.00 0.11 -1.96 -3.31 132.00 129.43 2jrp h PRO 35 Ca -0.46 0.00 -0.29 0.00 0.11 0.00 0.00 66.00 65.36 2jrp h PRO 35 Cb 1.17 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.23 2jrp h PRO 35 CO 0.72 0.00 -2.05 -0.40 -0.21 0.00 0.00 178.00 176.06 2jrp n ASP 36 N -2.93 2.19 -4.19 -2.05 5.75 -1.26 -4.81 116.55 109.25 2jrp n ASP 36 Ca 0.02 0.01 -0.40 0.00 -0.01 0.00 0.00 54.79 54.41 2jrp n ASP 36 Cb 0.33 -0.38 -0.09 0.00 -1.03 0.00 0.00 41.12 39.96 2jrp n ASP 36 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2jrp s ARG 38 N 1.04 3.92 0.29 0.00 3.52 -1.25 -3.05 118.95 123.43 2jrp s ARG 38 Ca 0.09 -2.02 -0.01 0.00 -0.13 0.00 0.00 55.73 53.66 2jrp s ARG 38 Cb -0.24 -5.31 -0.02 0.00 -1.56 0.00 0.00 34.95 27.82 2jrp s ARG 38 CO -0.02 -2.06 0.33 -0.65 -0.81 0.00 0.00 175.30 172.08 2jrp s GLN 39 N 3.41 1.63 0.00 5.12 -0.21 -1.26 -4.99 119.66 123.36 2jrp s GLN 39 Ca 0.47 -1.73 0.05 0.00 0.02 0.00 0.00 55.36 54.17 2jrp s GLN 39 Cb 0.01 0.37 0.30 0.00 1.00 0.00 0.00 33.01 34.68 2jrp s GLN 39 CO 0.01 -0.62 0.68 -2.30 -2.12 0.00 0.00 175.29 170.94 2jrp n PRO 40 N -0.48 0.34 0.00 2.91 -0.02 -1.26 -4.46 135.00 132.02 2jrp n PRO 40 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.51 2jrp n PRO 40 Cb 0.63 -1.23 0.00 0.00 -0.02 0.00 0.00 33.50 32.88 2jrp n PRO 40 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2jrp n LEU 41 N -0.73 0.00 -3.64 2.45 4.77 -1.26 -4.29 117.00 114.30 2jrp n LEU 41 Ca 0.04 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.96 2jrp n LEU 41 Cb 0.02 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.04 2jrp n LEU 41 CO 0.03 0.00 0.41 -1.58 -1.33 0.00 0.00 177.39 174.92 2jrp s GLN 42 N 0.00 0.62 -0.65 3.23 -0.44 -1.26 -4.63 119.66 116.54 2jrp s GLN 42 Ca 0.00 1.13 -0.26 0.00 -2.50 0.00 0.00 55.36 53.74 2jrp s GLN 42 Cb 0.00 0.21 0.04 0.00 -1.64 0.00 0.00 33.01 31.63 2jrp s GLN 42 CO 0.00 -0.14 1.11 0.08 0.50 0.00 0.00 175.29 176.84 2jrp s VAL 43 N 1.74 4.07 -0.27 1.34 1.01 -1.26 -1.00 120.40 126.02 2jrp s VAL 43 Ca -0.09 0.28 -0.16 0.00 0.00 0.00 0.00 61.98 62.01 2jrp s VAL 43 Cb -0.05 -4.74 -0.03 0.00 0.00 0.00 0.00 36.38 31.55 2jrp s VAL 43 CO -0.19 -1.50 0.45 -0.76 0.00 0.00 0.00 175.10 173.10 2jrp s LEU 44 N 4.79 4.08 -0.04 3.92 1.43 0.20 -4.96 118.68 128.10 2jrp s LEU 44 Ca 0.32 0.35 0.07 0.00 -1.03 0.00 0.00 54.13 53.84 2jrp s LEU 44 Cb -0.11 -2.54 -0.01 0.00 0.03 0.00 0.00 46.19 43.55 2jrp s LEU 44 CO 0.17 -0.26 -0.24 -0.54 0.23 0.00 0.00 176.35 175.70 2jrp s LYS 45 N 2.20 2.25 -0.13 1.70 1.02 -1.26 -0.30 119.74 125.23 2jrp s LYS 45 Ca 0.18 -0.88 -0.04 0.00 0.02 0.00 0.00 55.97 55.26 2jrp s LYS 45 Cb -0.16 -2.02 0.06 0.00 -0.52 0.00 0.00 37.83 35.19 2jrp s LYS 45 CO 0.10 0.44 0.14 0.00 -0.92 0.00 0.00 175.35 175.11 2jrp s ALA 46 N -0.33 0.05 -1.73 5.17 0.00 0.40 -4.83 121.76 120.48 2jrp s ALA 46 Ca 0.02 0.16 0.00 0.00 0.00 0.00 0.00 51.96 52.15 2jrp s ALA 46 Cb -0.12 -0.98 0.00 0.00 0.00 0.00 0.00 23.12 22.03 2jrp s ALA 46 CO 0.02 -0.90 0.00 0.00 0.00 0.00 0.00 175.76 174.88 2jrp n GLY 48 N -0.89 3.08 3.73 0.00 0.00 -1.26 -5.05 105.19 104.79 2jrp n GLY 48 Ca -0.23 -0.79 -0.38 0.00 0.00 0.00 0.00 46.02 44.63 2jrp n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jrp n ALA 49 N 0.00 1.27 -2.67 4.61 0.00 -0.54 -4.97 120.51 118.21 2jrp n ALA 49 Ca 0.00 0.05 -0.20 0.00 0.00 0.00 0.00 53.44 53.29 2jrp n ALA 49 Cb 0.00 -2.33 -0.15 0.00 0.00 0.00 0.00 19.45 16.97 2jrp n ALA 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2jrp s VAL 50 N -1.35 0.85 -0.00 0.00 0.11 -1.26 -0.45 120.40 118.30 2jrp s VAL 50 Ca 0.79 -0.46 0.01 0.00 -2.93 0.00 0.00 61.98 59.39 2jrp s VAL 50 Cb -0.39 -0.72 -0.00 0.00 -1.53 0.00 0.00 36.38 33.73 2jrp s VAL 50 CO 0.44 0.24 -0.04 -0.62 -3.33 0.00 0.00 175.10 171.79 2jrp s ASP 51 N -0.22 0.48 -0.42 3.54 2.15 0.59 -4.87 116.67 117.93 2jrp s ASP 51 Ca 0.04 -0.08 -0.15 0.00 0.43 0.00 0.00 52.55 52.78 2jrp s ASP 51 Cb -0.05 -0.05 0.03 0.00 -0.30 0.00 0.00 42.92 42.55 2jrp s ASP 51 CO -0.00 0.04 0.33 -0.31 -0.17 0.00 0.00 175.17 175.06 2jrp s TYR 52 N -0.12 3.23 -0.23 -5.34 2.02 -1.26 -0.62 117.35 115.02 2jrp s TYR 52 Ca 0.01 -0.61 -0.03 0.00 -0.37 0.00 0.00 57.07 56.07 2jrp s TYR 52 Cb -0.02 -2.71 0.11 0.00 -0.40 0.00 0.00 41.96 38.94 2jrp s TYR 52 CO -0.00 -0.63 0.25 0.12 -1.57 0.00 0.00 175.55 173.72 2jrp s PHE 53 N 1.73 -0.35 -0.95 2.71 5.36 -0.17 -4.67 117.98 121.64 2jrp s PHE 53 Ca 0.06 0.12 -0.24 0.00 -0.96 0.00 0.00 56.93 55.91 2jrp s PHE 53 Cb -0.19 -0.38 0.03 0.00 -0.34 0.00 0.00 43.02 42.14 2jrp s PHE 53 CO 0.10 -0.71 1.50 0.00 -1.46 0.00 0.00 175.22 174.65 2jrp n GLN 55 N 8.97 0.00 0.06 0.00 6.02 -1.26 -1.35 117.38 129.81 2jrp n GLN 55 Ca 0.29 0.00 0.11 0.00 -0.01 0.00 0.00 57.00 57.40 2jrp n GLN 55 Cb 0.50 -0.53 -0.01 0.00 1.02 0.00 0.00 30.24 31.23 2jrp n GLN 55 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 2jrp n ASN 56 N -0.27 0.61 0.00 1.08 2.85 -1.26 -2.18 115.26 116.09 2jrp n ASN 56 Ca 0.00 0.09 0.10 0.00 -0.11 0.00 0.00 54.58 54.65 2jrp n ASN 56 Cb 0.00 0.81 0.50 0.00 1.24 0.00 0.00 39.78 42.33 2jrp n ASN 56 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2jrp n GLY 57 N 1.27 -0.89 1.55 8.20 0.00 -1.26 -4.63 105.19 109.42 2jrp n GLY 57 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.93 2jrp n GLY 57 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2jrp n HIS 58 N -1.25 -3.54 0.00 1.61 -0.00 -1.25 -5.09 115.22 105.71 2jrp n HIS 58 Ca 0.10 0.89 0.00 0.00 -0.00 0.00 0.00 57.72 58.71 2jrp n HIS 58 Cb 0.14 2.40 0.00 0.00 -0.00 0.00 0.00 29.99 32.54 2jrp n HIS 58 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2jrp n GLY 59 N -1.39 4.34 3.80 1.57 0.00 -0.45 -5.02 105.19 108.04 2jrp n GLY 59 Ca 0.00 -0.54 -0.32 0.00 0.00 0.00 0.00 46.02 45.16 2jrp n GLY 59 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2jrp s LEU 60 N 0.00 3.34 0.10 0.99 2.34 -1.15 -4.56 118.68 119.73 2jrp s LEU 60 Ca 0.00 1.76 0.07 0.00 0.06 0.00 0.00 54.13 56.02 2jrp s LEU 60 Cb 0.00 -4.52 -0.03 0.00 -0.56 0.00 0.00 46.19 41.08 2jrp s LEU 60 CO 0.00 -1.35 -0.17 -0.63 -1.06 0.00 0.00 176.35 173.15 2jrp s ILE 61 N -2.67 1.41 0.20 1.48 1.09 -1.26 -5.07 121.20 116.38 2jrp s ILE 61 Ca 0.62 -1.52 -0.30 0.00 -1.10 0.00 0.00 60.65 58.34 2jrp s ILE 61 Cb -0.16 -1.39 -0.09 0.00 -1.06 0.00 0.00 42.46 39.76 2jrp s ILE 61 CO 0.44 -0.22 1.43 -0.55 -0.10 0.00 0.00 174.94 175.94 2jrp s SER 62 N -2.02 6.72 0.00 3.58 0.15 -1.26 -4.87 113.70 115.99 2jrp s SER 62 Ca 0.05 2.55 0.10 0.00 0.70 0.00 0.00 55.95 59.34 2jrp s SER 62 Cb -0.09 -2.61 0.44 0.00 -1.71 0.00 0.00 66.02 62.06 2jrp s SER 62 CO 0.03 -0.68 1.25 0.29 1.20 0.00 0.00 173.24 175.33 2jrp n LYS 63 N 2.96 0.07 0.15 5.44 5.02 -1.26 -0.10 118.16 130.43 2jrp n LYS 63 Ca 0.09 0.27 0.13 0.00 -2.02 0.00 0.00 58.31 56.77 2jrp n LYS 63 Cb 0.41 -1.50 0.35 0.00 -0.02 0.00 0.00 35.03 34.27 2jrp n LYS 63 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2jrp h LYS 64 N 0.00 0.00 0.00 1.97 3.64 -2.06 -3.28 116.57 116.84 2jrp h LYS 64 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2jrp h LYS 64 Cb 0.13 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 2jrp h LYS 64 CO 0.00 0.00 -0.00 0.54 -2.27 0.00 0.00 179.45 177.72 2jrp n ARG 65 N -2.57 2.71 -2.99 1.90 5.12 0.85 -5.03 116.66 116.66 2jrp n ARG 65 Ca 0.05 -1.45 -0.39 0.00 -1.93 0.00 0.00 57.85 54.12 2jrp n ARG 65 Cb 0.44 -0.97 -0.06 0.00 -1.16 0.00 0.00 32.46 30.70 2jrp n ARG 65 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2jrp s VAL 66 N -0.97 4.40 -0.82 1.55 1.01 -1.09 -4.94 120.40 119.55 2jrp s VAL 66 Ca 0.01 1.68 -0.22 0.00 0.00 0.00 0.00 61.98 63.44 2jrp s VAL 66 Cb 0.01 -4.13 0.08 0.00 0.00 0.00 0.00 36.38 32.34 2jrp s VAL 66 CO 0.00 0.52 1.16 0.21 0.00 0.00 0.00 175.10 176.99 2jrp s ASN 67 N -1.10 6.36 -0.69 3.32 2.47 -0.43 -4.89 114.94 119.97 2jrp s ASN 67 Ca 0.35 -1.27 -0.24 0.00 0.42 0.00 0.00 52.86 52.12 2jrp s ASN 67 Cb -0.23 -2.47 0.05 0.00 -1.45 0.00 0.00 41.25 37.16 2jrp s ASN 67 CO 0.26 -1.42 1.09 -0.36 -3.72 0.00 0.00 177.10 172.94 2jrp s PHE 68 N 4.16 2.52 -0.05 0.43 0.08 -1.25 -0.44 117.98 123.43 2jrp s PHE 68 Ca 0.32 -0.35 -0.02 0.00 0.12 0.00 0.00 56.93 57.00 2jrp s PHE 68 Cb -0.09 -4.42 -0.04 0.00 -0.57 0.00 0.00 43.02 37.90 2jrp s PHE 68 CO 0.02 -1.81 0.05 0.54 -0.10 0.00 0.00 175.22 173.91 2jrp s VAL 69 N 4.71 4.60 -0.82 -0.44 0.11 -0.38 -4.78 120.40 123.40 2jrp s VAL 69 Ca 0.27 -0.28 -0.26 0.00 -2.93 0.00 0.00 61.98 58.78 2jrp s VAL 69 Cb -0.13 -3.02 0.04 0.00 -1.53 0.00 0.00 36.38 31.74 2jrp s VAL 69 CO 0.12 0.49 1.32 -0.63 -3.33 0.00 0.00 175.10 173.07 2jrp s ILE 70 N -1.03 3.80 -0.57 7.04 1.01 -1.26 -0.30 121.20 129.88 2jrp s ILE 70 Ca 0.18 0.05 0.02 0.00 0.00 0.00 0.00 60.65 60.89 2jrp s ILE 70 Cb -0.12 -4.95 0.14 0.00 0.01 0.00 0.00 42.46 37.55 2jrp s ILE 70 CO 0.07 -1.87 0.34 -0.94 0.00 0.00 0.00 174.94 172.55 2jrp s SER 71 N 4.08 4.68 0.00 3.58 1.04 -1.15 -4.83 113.70 121.10 2jrp s SER 71 Ca 0.38 -3.01 0.12 0.00 0.48 0.00 0.00 55.95 53.91 2jrp s SER 71 Cb -0.06 -1.72 0.28 0.00 0.10 0.00 0.00 66.02 64.62 2jrp s SER 71 CO 0.08 -0.27 1.19 -0.90 0.98 0.00 0.00 173.24 174.31 2jrp n ASP 72 N 3.17 2.78 -4.85 7.02 5.75 -1.26 -4.92 116.55 124.24 2jrp n ASP 72 Ca 0.07 -1.88 -0.31 0.00 -0.01 0.00 0.00 54.79 52.66 2jrp n ASP 72 Cb 0.34 -0.19 0.01 0.00 -1.03 0.00 0.00 41.12 40.25 2jrp n ASP 72 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2jrp s GLN 73 N -1.01 3.53 -0.48 0.11 1.03 -1.26 -4.97 119.66 116.60 2jrp s GLN 73 Ca 0.23 0.84 -0.28 0.00 0.04 0.00 0.00 55.36 56.19 2jrp s GLN 73 Cb 0.13 -2.07 0.00 0.00 0.03 0.00 0.00 33.01 31.10 2jrp s GLN 73 CO 0.17 -0.62 1.51 -1.17 -2.54 0.00 0.00 175.29 172.63 2jrp s LEU 74 N -5.04 3.47 0.00 2.60 1.98 -1.26 -4.82 118.68 115.61 2jrp s LEU 74 Ca 0.56 0.62 0.18 0.00 -2.89 0.00 0.00 54.13 52.60 2jrp s LEU 74 Cb -0.12 -3.24 0.02 0.00 0.66 0.00 0.00 46.19 43.52 2jrp s LEU 74 CO 0.50 -1.68 0.96 -1.84 -1.89 0.00 0.00 176.35 172.40 2jrp n GLU 75 N 8.47 1.56 0.00 1.98 -0.00 -1.26 -4.35 120.64 127.05 2jrp n GLU 75 Ca 0.16 -1.00 0.00 0.00 -0.00 0.00 0.00 57.16 56.32 2jrp n GLU 75 Cb 0.49 -1.34 0.00 0.00 -0.00 0.00 0.00 31.44 30.59 2jrp n GLU 75 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 2jrp n HIS 76 N 0.11 0.00 -3.66 -1.84 8.25 -1.26 -4.32 115.22 112.50 2jrp n HIS 76 Ca 0.08 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.20 2jrp n HIS 76 Cb 0.40 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.43 2jrp n HIS 76 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2jrp n HIS 77 N -0.45 3.88 0.00 4.41 -0.00 -1.26 -4.53 115.22 117.27 2jrp n HIS 77 Ca 0.00 -4.12 0.00 0.00 0.46 0.00 0.00 57.72 54.06 2jrp n HIS 77 Cb 0.00 -0.98 0.00 0.00 -0.12 0.00 0.00 29.99 28.89 2jrp n HIS 77 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2jrp n HIS 78 N 2.05 0.00 -2.15 1.57 -0.00 -1.26 -5.04 115.22 110.39 2jrp n HIS 78 Ca 0.22 0.00 -0.30 0.00 -0.00 0.00 0.00 57.72 57.64 2jrp n HIS 78 Cb 0.37 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 30.31 2jrp n HIS 78 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2jrp s HIS 79 N 0.00 2.04 0.14 1.57 5.04 -1.26 -4.94 115.29 117.88 2jrp s HIS 79 Ca 0.00 0.20 -0.00 0.00 -1.54 0.00 0.00 55.06 53.72 2jrp s HIS 79 Cb 0.00 -4.14 -0.04 0.00 0.04 0.00 0.00 32.58 28.44 2jrp s HIS 79 CO 0.00 -1.46 0.31 -3.38 -2.34 0.00 0.00 174.74 167.86 2jrp s HIS 80 N 9.65 3.49 0.00 3.88 -3.43 -1.26 -4.81 115.29 122.81 2jrp s HIS 80 Ca 0.66 0.28 0.00 0.00 -0.80 0.00 0.00 55.06 55.20 2jrp s HIS 80 Cb -0.02 -1.80 0.00 0.00 -1.43 0.00 0.00 32.58 29.34 2jrp s HIS 80 CO 0.07 0.49 0.09 -2.39 -2.00 0.00 0.00 174.74 171.00