#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jr1 h ASN 2 N 0.00 0.99 -3.77 4.37 -1.24 -2.03 -3.36 115.58 110.54 2jr1 h ASN 2 Ca 0.00 -0.24 -0.65 0.00 0.71 0.00 0.00 56.30 56.12 2jr1 h ASN 2 Cb 0.00 -0.26 -0.20 0.00 0.73 0.00 0.00 38.32 38.59 2jr1 h ASN 2 CO 0.00 1.01 -0.55 0.54 -1.29 0.00 0.00 177.43 177.13 2jr1 s VAL 3 N -5.14 4.90 -0.18 2.57 0.11 -1.26 -5.00 120.40 116.40 2jr1 s VAL 3 Ca -0.11 -0.05 -0.05 0.00 -2.93 0.00 0.00 61.98 58.84 2jr1 s VAL 3 Cb 0.14 -3.36 0.09 0.00 -1.53 0.00 0.00 36.38 31.73 2jr1 s VAL 3 CO 0.84 0.23 0.34 -0.54 -3.33 0.00 0.00 175.10 172.64 2jr1 s LYS 4 N 1.69 0.25 1.03 1.54 -0.14 -1.26 -5.17 119.74 117.69 2jr1 s LYS 4 Ca 0.06 0.77 -0.12 0.00 -1.36 0.00 0.00 55.97 55.32 2jr1 s LYS 4 Cb -0.16 -0.09 0.21 0.00 -1.68 0.00 0.00 37.83 36.11 2jr1 s LYS 4 CO 0.08 -0.37 1.07 -0.65 -0.76 0.00 0.00 175.35 174.72 2jr1 s GLN 5 N 2.51 0.13 0.14 1.68 1.11 -1.26 -4.93 119.66 119.03 2jr1 s GLN 5 Ca 0.03 0.84 -0.30 0.00 0.01 0.00 0.00 55.36 55.93 2jr1 s GLN 5 Cb -0.13 -1.68 -0.07 0.00 -1.01 0.00 0.00 33.01 30.12 2jr1 s GLN 5 CO -0.12 -3.02 1.21 0.15 0.01 0.00 0.00 175.29 173.52 2jr1 s LYS 6 N -4.72 4.46 -0.16 2.91 3.01 -1.26 -4.98 119.74 119.00 2jr1 s LYS 6 Ca 0.66 1.85 -0.00 0.00 -1.01 0.00 0.00 55.97 57.47 2jr1 s LYS 6 Cb -0.21 -3.28 0.04 0.00 -1.01 0.00 0.00 37.83 33.36 2jr1 s LYS 6 CO 0.60 -0.17 -0.08 -1.12 0.51 0.00 0.00 175.35 175.09 2jr1 s SER 7 N 0.52 2.83 -0.31 2.83 0.01 -1.26 -5.00 113.70 113.32 2jr1 s SER 7 Ca 0.56 -0.63 0.00 0.00 1.31 0.00 0.00 55.95 57.19 2jr1 s SER 7 Cb -0.32 -1.01 0.07 0.00 0.21 0.00 0.00 66.02 64.97 2jr1 s SER 7 CO 0.33 -0.15 0.00 -1.61 0.41 0.00 0.00 173.24 172.23 2jr1 s GLU 8 N 1.57 2.17 0.01 12.44 2.02 -1.25 -3.42 118.70 132.24 2jr1 s GLU 8 Ca 0.02 -1.46 0.07 0.00 0.02 0.00 0.00 54.97 53.61 2jr1 s GLU 8 Cb -0.15 -3.15 -0.03 0.00 0.10 0.00 0.00 34.13 30.90 2jr1 s GLU 8 CO -0.08 -0.71 -0.20 0.42 0.02 0.00 0.00 175.26 174.71 2jr1 s ILE 9 N 1.14 2.64 0.76 -1.63 -1.09 -0.64 -5.02 121.20 117.35 2jr1 s ILE 9 Ca -0.02 -1.09 -0.11 0.00 -2.23 0.00 0.00 60.65 57.20 2jr1 s ILE 9 Cb -0.20 -2.05 0.05 0.00 -1.58 0.00 0.00 42.46 38.67 2jr1 s ILE 9 CO -0.04 0.44 1.09 -0.89 -1.23 0.00 0.00 174.94 174.31 2jr1 s THR 10 N -0.81 3.45 0.13 2.92 2.01 -1.26 -3.25 115.64 118.83 2jr1 s THR 10 Ca 0.13 0.48 -0.31 0.00 0.31 0.00 0.00 61.69 62.29 2jr1 s THR 10 Cb -0.10 -3.01 -0.10 0.00 0.01 0.00 0.00 72.50 69.30 2jr1 s THR 10 CO 0.03 -0.61 1.74 0.00 -0.69 0.00 0.00 174.62 175.09 2jr1 s ALA 11 N -2.91 3.78 0.18 7.40 0.00 -1.16 -4.87 121.76 124.18 2jr1 s ALA 11 Ca 0.61 1.41 0.04 0.00 0.00 0.00 0.00 51.96 54.02 2jr1 s ALA 11 Cb -0.17 -3.72 -0.03 0.00 0.00 0.00 0.00 23.12 19.20 2jr1 s ALA 11 CO 0.55 -1.09 0.26 -1.17 0.00 0.00 0.00 175.76 174.31 2jr1 s LEU 12 N 2.26 4.20 0.60 0.00 2.96 -1.26 -4.93 118.68 122.51 2jr1 s LEU 12 Ca 0.77 0.07 -0.18 0.00 -0.22 0.00 0.00 54.13 54.57 2jr1 s LEU 12 Cb -0.45 -2.77 -0.06 0.00 0.50 0.00 0.00 46.19 43.41 2jr1 s LEU 12 CO 0.34 0.03 0.86 1.33 -1.32 0.00 0.00 176.35 177.58 2jr1 n VAL 13 N -0.71 3.38 -2.07 1.68 0.24 -1.26 -4.29 118.33 115.30 2jr1 n VAL 13 Ca -0.08 -0.50 -0.41 0.00 -2.04 0.00 0.00 64.34 61.32 2jr1 n VAL 13 Cb 0.55 -1.03 -0.02 0.00 -1.47 0.00 0.00 33.84 31.87 2jr1 n VAL 13 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 2jr1 s LYS 14 N -2.61 4.32 -0.32 7.34 2.47 -0.75 -4.90 119.74 125.29 2jr1 s LYS 14 Ca 0.74 2.27 -0.21 0.00 -1.56 0.00 0.00 55.97 57.22 2jr1 s LYS 14 Cb -0.42 -3.06 -0.01 0.00 -1.46 0.00 0.00 37.83 32.88 2jr1 s LYS 14 CO 0.49 -0.25 0.64 -1.21 0.16 0.00 0.00 175.35 175.18 2jr1 s GLU 15 N -1.73 3.85 0.04 4.03 2.02 -1.26 -4.68 118.70 120.96 2jr1 s GLU 15 Ca 0.50 0.25 -0.05 0.00 0.02 0.00 0.00 54.97 55.69 2jr1 s GLU 15 Cb -0.41 -3.75 -0.01 0.00 0.10 0.00 0.00 34.13 30.06 2jr1 s GLU 15 CO 0.54 -0.63 0.09 0.08 0.02 0.00 0.00 175.26 175.36 2jr1 s VAL 16 N 2.67 0.14 -0.02 2.63 1.01 -1.26 -5.12 120.40 120.44 2jr1 s VAL 16 Ca 0.26 -1.13 -0.20 0.00 0.00 0.00 0.00 61.98 60.91 2jr1 s VAL 16 Cb -0.15 -0.92 -0.12 0.00 0.00 0.00 0.00 36.38 35.19 2jr1 s VAL 16 CO 0.13 -0.62 0.85 0.74 0.00 0.00 0.00 175.10 176.20 2jr1 h THR 17 N 3.64 0.25 -4.45 3.92 2.02 -1.96 -3.46 112.91 112.86 2jr1 h THR 17 Ca -0.33 -0.63 -0.48 0.00 0.77 0.00 0.00 66.41 65.75 2jr1 h THR 17 Cb 1.18 0.39 0.10 0.00 -1.74 0.00 0.00 68.15 68.08 2jr1 h THR 17 CO 0.51 0.05 0.38 -2.16 0.37 0.00 0.00 175.52 174.68 2jr1 s PRO 18 N -3.81 2.18 -1.12 6.66 0.04 -1.26 -4.96 135.00 132.74 2jr1 s PRO 18 Ca -0.11 0.37 -0.19 0.00 0.04 0.00 0.00 61.00 61.11 2jr1 s PRO 18 Cb 0.01 -1.95 -0.06 0.00 0.04 0.00 0.00 34.50 32.54 2jr1 s PRO 18 CO 0.36 -1.49 2.00 -0.35 0.04 0.00 0.00 177.00 177.56 2jr1 n PRO 19 N -3.30 2.17 -5.09 0.56 -0.04 -1.26 -4.88 135.00 123.16 2jr1 n PRO 19 Ca 0.07 -2.35 -0.32 0.00 -0.04 0.00 0.00 63.50 60.86 2jr1 n PRO 19 Cb 0.58 -3.22 -0.16 0.00 -0.04 0.00 0.00 33.50 30.67 2jr1 n PRO 19 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2jr1 s ARG 20 N 4.51 2.96 -0.37 0.54 3.00 -1.26 -5.12 118.95 123.20 2jr1 s ARG 20 Ca 0.55 -0.82 0.01 0.00 0.00 0.00 0.00 55.73 55.47 2jr1 s ARG 20 Cb 0.11 -2.36 0.11 0.00 0.00 0.00 0.00 34.95 32.82 2jr1 s ARG 20 CO 0.05 0.28 0.14 0.15 0.00 0.00 0.00 175.30 175.92 2jr1 s LYS 21 N 0.12 1.13 0.21 3.54 -0.14 -1.26 -4.74 119.74 118.59 2jr1 s LYS 21 Ca -0.10 -1.62 -0.22 0.00 -1.36 0.00 0.00 55.97 52.67 2jr1 s LYS 21 Cb -0.16 -2.43 -0.08 0.00 -1.68 0.00 0.00 37.83 33.48 2jr1 s LYS 21 CO 0.06 -1.04 0.75 0.00 -0.76 0.00 0.00 175.35 174.37 2jr1 s ALA 22 N 0.96 3.41 -1.31 5.17 0.00 -1.26 -4.89 121.76 123.84 2jr1 s ALA 22 Ca 0.13 0.25 -0.17 0.00 0.00 0.00 0.00 51.96 52.17 2jr1 s ALA 22 Cb -0.20 -2.89 0.03 0.00 0.00 0.00 0.00 23.12 20.06 2jr1 s ALA 22 CO -0.12 0.31 1.93 -0.35 0.00 0.00 0.00 175.76 177.53 2jr1 n PRO 23 N 1.00 2.83 -2.32 0.00 -0.04 -1.26 -1.81 135.00 133.40 2jr1 n PRO 23 Ca -0.03 -2.89 -0.41 0.00 -0.04 0.00 0.00 63.50 60.13 2jr1 n PRO 23 Cb 0.50 -3.41 -0.03 0.00 -0.04 0.00 0.00 33.50 30.52 2jr1 n PRO 23 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2jr1 s SER 24 N 4.13 7.02 -0.91 3.54 1.04 -1.26 -4.95 113.70 122.30 2jr1 s SER 24 Ca 0.53 2.30 -0.24 0.00 0.48 0.00 0.00 55.95 59.02 2jr1 s SER 24 Cb 0.08 -2.61 -0.00 0.00 0.10 0.00 0.00 66.02 63.58 2jr1 s SER 24 CO 0.03 -0.42 1.71 -0.54 0.98 0.00 0.00 173.24 175.00 2jr1 s LYS 25 N -0.28 2.99 -0.19 4.02 3.01 -1.24 -4.53 119.74 123.52 2jr1 s LYS 25 Ca 0.54 -0.52 -0.05 0.00 -1.01 0.00 0.00 55.97 54.93 2jr1 s LYS 25 Cb -0.34 -5.06 -0.02 0.00 -1.01 0.00 0.00 37.83 31.40 2jr1 s LYS 25 CO 0.38 -2.80 -0.01 0.00 0.51 0.00 0.00 175.35 173.42 2jr1 s ALA 26 N 7.79 3.01 -0.05 5.17 0.00 -1.26 -2.05 121.76 134.37 2jr1 s ALA 26 Ca 0.58 -0.95 -0.01 0.00 0.00 0.00 0.00 51.96 51.59 2jr1 s ALA 26 Cb -0.05 -1.70 0.03 0.00 0.00 0.00 0.00 23.12 21.40 2jr1 s ALA 26 CO -0.01 -0.05 0.02 0.15 0.00 0.00 0.00 175.76 175.87 2jr1 s LYS 27 N 0.82 0.32 -0.40 0.00 3.01 -1.21 -2.97 119.74 119.31 2jr1 s LYS 27 Ca -0.00 0.19 0.00 0.00 -1.01 0.00 0.00 55.97 55.15 2jr1 s LYS 27 Cb -0.14 -0.72 0.11 0.00 -1.01 0.00 0.00 37.83 36.06 2jr1 s LYS 27 CO 0.02 -0.28 0.16 1.03 0.51 0.00 0.00 175.35 176.79 2jr1 s ARG 28 N 1.85 1.82 -0.02 1.68 0.52 -1.20 -2.98 118.95 120.62 2jr1 s ARG 28 Ca 0.02 -1.94 0.00 0.00 -0.52 0.00 0.00 55.73 53.30 2jr1 s ARG 28 Cb -0.12 -3.42 0.02 0.00 0.52 0.00 0.00 34.95 31.94 2jr1 s ARG 28 CO -0.04 -1.03 0.00 -1.21 0.02 0.00 0.00 175.30 173.05 2jr1 s GLU 29 N 0.88 0.15 -0.36 3.54 8.01 -1.25 -1.63 118.70 128.05 2jr1 s GLU 29 Ca 0.10 0.06 -0.19 0.00 0.01 0.00 0.00 54.97 54.95 2jr1 s GLU 29 Cb -0.21 -0.30 0.00 0.00 -4.31 0.00 0.00 34.13 29.31 2jr1 s GLU 29 CO -0.05 -0.08 0.56 0.00 0.01 0.00 0.00 175.26 175.70 2jr1 s ALA 30 N 0.66 3.46 0.00 5.21 0.00 -1.22 -3.41 121.76 126.45 2jr1 s ALA 30 Ca -0.06 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 50.91 2jr1 s ALA 30 Cb -0.09 -3.10 0.00 0.00 0.00 0.00 0.00 23.12 19.93 2jr1 s ALA 30 CO -0.01 -1.32 0.00 -0.35 0.00 0.00 0.00 175.76 174.07 2jr1 n PRO 31 N 5.89 0.00 -4.32 0.00 -0.04 -1.26 -4.77 135.00 130.49 2jr1 n PRO 31 Ca -0.03 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.22 2jr1 n PRO 31 Cb 0.49 0.00 -0.16 0.00 -0.04 0.00 0.00 33.50 33.79 2jr1 n PRO 31 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 2jr1 s ILE 32 N 0.23 0.72 0.21 0.52 -4.36 -1.26 -4.78 121.20 112.48 2jr1 s ILE 32 Ca 0.00 -0.27 0.22 0.00 -0.26 0.00 0.00 60.65 60.33 2jr1 s ILE 32 Cb 0.00 -0.69 0.19 0.00 1.25 0.00 0.00 42.46 43.22 2jr1 s ILE 32 CO 0.00 0.25 1.83 0.50 0.24 0.00 0.00 174.94 177.76 2jr1 h LYS 33 N 6.82 0.00 -0.55 0.37 1.63 -1.95 -1.80 116.57 121.09 2jr1 h LYS 33 Ca -0.35 0.00 -0.05 0.00 -0.85 0.00 0.00 60.65 59.40 2jr1 h LYS 33 Cb 1.17 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.77 2jr1 h LYS 33 CO 0.48 0.28 0.12 -0.92 -3.45 0.00 0.00 179.45 175.96 2jr1 h TYR 34 N 0.00 0.88 0.00 1.91 3.20 -1.98 -3.33 116.97 117.65 2jr1 h TYR 34 Ca -0.00 -0.09 -0.10 0.00 3.14 0.00 0.00 58.73 61.68 2jr1 h TYR 34 Cb 0.74 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.74 2jr1 h TYR 34 CO 0.00 0.74 -0.61 2.35 -1.64 0.00 0.00 178.16 179.00 2jr1 h TRP 35 N 0.82 0.00 -3.29 -3.82 7.01 -2.01 -3.48 115.95 111.18 2jr1 h TRP 35 Ca 0.18 0.00 -0.66 0.00 2.11 0.00 0.00 58.89 60.51 2jr1 h TRP 35 Cb 0.31 0.00 -0.30 0.00 -2.10 0.00 0.00 29.16 27.08 2jr1 h TRP 35 CO 0.02 1.05 -0.80 -0.51 -2.79 0.00 0.00 178.44 175.41 2jr1 s LEU 36 N -8.09 2.50 0.55 0.65 1.43 -0.68 -5.05 118.68 109.99 2jr1 s LEU 36 Ca -0.22 -0.45 0.31 0.00 -1.03 0.00 0.00 54.13 52.74 2jr1 s LEU 36 Cb 0.02 -1.57 1.62 0.00 0.03 0.00 0.00 46.19 46.29 2jr1 s LEU 36 CO 0.55 0.10 2.12 1.55 0.23 0.00 0.00 176.35 180.90 2jr1 h PRO 37 N 7.20 0.00 -4.76 1.29 0.13 -1.85 -3.36 132.00 130.66 2jr1 h PRO 37 Ca -0.31 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 64.14 2jr1 h PRO 37 Cb 1.19 0.00 -0.36 0.00 0.13 0.00 0.00 31.00 31.97 2jr1 h PRO 37 CO 0.56 0.08 -0.72 -1.58 -0.23 0.00 0.00 178.00 176.11 2jr1 s HIS 38 N -4.15 3.40 -0.63 1.56 5.65 -1.26 -4.88 115.29 114.98 2jr1 s HIS 38 Ca -0.03 -2.32 -0.28 0.00 0.25 0.00 0.00 55.06 52.69 2jr1 s HIS 38 Cb 0.13 -2.34 0.03 0.00 -1.18 0.00 0.00 32.58 29.21 2jr1 s HIS 38 CO 0.55 -0.88 1.27 -1.54 -0.65 0.00 0.00 174.74 173.49 2jr1 s SER 39 N 1.20 6.27 0.00 9.88 1.04 -1.26 -4.70 113.70 126.13 2jr1 s SER 39 Ca -0.02 -0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.36 2jr1 s SER 39 Cb -0.20 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.37 2jr1 s SER 39 CO -0.04 -1.66 0.00 0.61 0.98 0.00 0.00 173.24 173.12 2jr1 n GLY 40 N 5.22 1.19 3.00 7.32 0.00 -1.25 -4.63 105.19 116.03 2jr1 n GLY 40 Ca 0.07 -0.08 -0.28 0.00 0.00 0.00 0.00 46.02 45.73 2jr1 n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jr1 s ALA 41 N 0.00 1.62 -0.61 4.61 0.00 -1.22 -4.93 121.76 121.22 2jr1 s ALA 41 Ca 0.00 -0.72 -0.25 0.00 0.00 0.00 0.00 51.96 50.99 2jr1 s ALA 41 Cb 0.00 -0.92 0.05 0.00 0.00 0.00 0.00 23.12 22.25 2jr1 s ALA 41 CO 0.00 -0.27 1.03 -0.08 0.00 0.00 0.00 175.76 176.44 2jr1 s THR 42 N 1.35 4.21 -0.66 0.00 -1.32 -1.26 -3.92 115.64 114.04 2jr1 s THR 42 Ca 0.00 0.20 -0.18 0.00 -1.21 0.00 0.00 61.69 60.50 2jr1 s THR 42 Cb -0.14 -4.66 0.12 0.00 -1.51 0.00 0.00 72.50 66.31 2jr1 s THR 42 CO -0.06 -1.36 0.77 0.86 -2.21 0.00 0.00 174.62 172.61 2jr1 s TRP 43 N 4.40 3.09 -1.05 9.09 -0.11 -1.16 -4.96 118.94 128.24 2jr1 s TRP 43 Ca 0.30 -1.13 -0.16 0.00 1.22 0.00 0.00 56.10 56.34 2jr1 s TRP 43 Cb -0.12 -4.03 0.16 0.00 -1.50 0.00 0.00 33.47 27.98 2jr1 s TRP 43 CO 0.17 -1.29 1.23 -1.54 -4.62 0.00 0.00 176.95 170.89 2jr1 s SER 44 N 3.47 6.87 0.00 5.86 1.04 -1.26 -3.35 113.70 126.32 2jr1 s SER 44 Ca 0.15 -2.58 0.00 0.00 0.48 0.00 0.00 55.95 53.99 2jr1 s SER 44 Cb -0.20 -2.37 0.00 0.00 0.10 0.00 0.00 66.02 63.54 2jr1 s SER 44 CO 0.03 -0.85 0.00 0.61 0.98 0.00 0.00 173.24 174.01 2jr1 n GLY 45 N 4.63 -1.60 3.79 7.32 0.00 -0.87 -4.82 105.19 113.64 2jr1 n GLY 45 Ca 0.28 0.52 -0.36 0.00 0.00 0.00 0.00 46.02 46.47 2jr1 n GLY 45 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2jr1 s ARG 46 N 0.00 4.30 -1.00 1.61 3.00 -1.26 -3.68 118.95 121.92 2jr1 s ARG 46 Ca 0.00 1.39 -0.24 0.00 -1.00 0.00 0.00 55.73 55.89 2jr1 s ARG 46 Cb 0.00 -2.56 -0.05 0.00 0.00 0.00 0.00 34.95 32.33 2jr1 s ARG 46 CO 0.00 0.01 1.91 0.20 0.00 0.00 0.00 175.30 177.42 2jr1 s GLY 47 N -1.68 0.27 -0.52 8.12 0.00 -1.26 -4.80 107.32 107.46 2jr1 s GLY 47 Ca 0.56 -1.78 -0.17 0.00 0.00 0.00 0.00 44.72 43.32 2jr1 s GLY 47 CO 0.24 3.45 0.55 1.25 0.00 0.00 0.00 173.10 178.59 2jr1 s LYS 48 N 6.66 3.04 -0.25 2.90 2.36 -1.26 -5.04 119.74 128.15 2jr1 s LYS 48 Ca 0.68 -1.22 0.02 0.00 -2.55 0.00 0.00 55.97 52.90 2jr1 s LYS 48 Cb -0.04 -4.17 0.05 0.00 -1.05 0.00 0.00 37.83 32.63 2jr1 s LYS 48 CO 0.03 -1.23 -0.12 0.42 1.55 0.00 0.00 175.35 176.00 2jr1 s ILE 49 N 2.19 2.08 -0.07 5.43 1.09 -1.26 -4.65 121.20 126.01 2jr1 s ILE 49 Ca 0.09 -1.50 -0.03 0.00 -1.10 0.00 0.00 60.65 58.11 2jr1 s ILE 49 Cb -0.23 -2.17 -0.09 0.00 -1.06 0.00 0.00 42.46 38.91 2jr1 s ILE 49 CO 0.08 0.04 2.80 -0.81 -0.10 0.00 0.00 174.94 176.95 2jr1 n PRO 50 N 4.48 1.65 0.06 2.79 -0.04 -1.26 -4.52 135.00 138.16 2jr1 n PRO 50 Ca -0.15 -0.81 -0.10 0.00 -0.04 0.00 0.00 63.50 62.39 2jr1 n PRO 50 Cb 0.43 -1.61 -0.07 0.00 -0.04 0.00 0.00 33.50 32.21 2jr1 n PRO 50 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 2jr1 h LYS 51 N 2.13 -0.21 0.00 0.54 6.56 -1.98 -0.42 116.57 123.18 2jr1 h LYS 51 Ca 0.15 0.01 -0.01 0.00 -1.06 0.00 0.00 60.65 59.75 2jr1 h LYS 51 Cb 1.20 0.05 -0.00 0.00 -0.57 0.00 0.00 32.23 32.90 2jr1 h LYS 51 CO 0.26 0.20 -0.04 -1.00 -2.06 0.00 0.00 179.45 176.81 2jr1 h PRO 52 N -0.88 0.00 0.19 3.15 0.13 -1.98 -0.79 132.00 131.82 2jr1 h PRO 52 Ca -0.02 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.10 2jr1 h PRO 52 Cb 0.52 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.65 2jr1 h PRO 52 CO 0.04 0.04 -0.09 0.35 -0.23 0.00 0.00 178.00 178.11 2jr1 h PHE 53 N 0.00 -0.24 0.00 1.56 3.57 -1.89 -3.03 116.94 116.91 2jr1 h PHE 53 Ca -0.00 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 2jr1 h PHE 53 Cb 0.17 0.08 -0.00 0.00 2.79 0.00 0.00 35.95 38.99 2jr1 h PHE 53 CO 0.00 -0.15 -0.06 1.49 -2.23 0.00 0.00 178.31 177.36 2jr1 h GLU 54 N -0.56 0.00 0.07 1.11 4.81 -1.07 0.13 114.58 119.08 2jr1 h GLU 54 Ca -0.03 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 2jr1 h GLU 54 Cb 0.20 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.58 2jr1 h GLU 54 CO 0.04 0.06 -0.03 0.00 -0.73 0.00 0.00 179.01 178.35 2jr1 h ALA 55 N 1.94 -0.09 -0.13 2.92 0.00 -1.32 -2.65 119.26 119.93 2jr1 h ALA 55 Ca -0.00 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.56 2jr1 h ALA 55 Cb 0.14 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2jr1 h ALA 55 CO 0.01 -0.33 -0.50 2.35 0.00 0.00 0.00 179.25 180.77 2jr1 h TRP 56 N -0.53 0.42 0.00 0.00 7.01 -1.37 0.38 115.95 121.85 2jr1 h TRP 56 Ca -0.01 -0.14 0.00 0.00 2.11 0.00 0.00 58.89 60.85 2jr1 h TRP 56 Cb 0.46 -0.08 0.00 0.00 -2.10 0.00 0.00 29.16 27.43 2jr1 h TRP 56 CO 0.07 0.78 0.00 -0.89 -2.79 0.00 0.00 178.44 175.61 2jr1 n ILE 57 N -3.96 0.00 -0.00 2.65 2.08 0.45 -3.52 119.36 117.05 2jr1 n ILE 57 Ca -0.02 0.00 -0.00 0.00 0.56 0.00 0.00 62.75 63.28 2jr1 n ILE 57 Cb 0.56 -0.65 -0.01 0.00 -0.75 0.00 0.00 39.64 38.79 2jr1 n ILE 57 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2jr1 n GLY 58 N -0.35 -0.03 0.31 7.39 0.00 -0.56 -3.80 105.19 108.14 2jr1 n GLY 58 Ca 0.04 -0.01 0.06 0.00 0.00 0.00 0.00 46.02 46.11 2jr1 n GLY 58 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2jr1 h THR 59 N 0.00 0.16 0.00 2.61 2.02 -1.01 -3.05 112.91 113.63 2jr1 h THR 59 Ca -0.02 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.15 2jr1 h THR 59 Cb 1.04 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.59 2jr1 h THR 59 CO 0.00 0.00 -0.82 0.00 0.37 0.00 0.00 175.52 175.08 2jr1 n ALA 60 N -3.26 1.81 0.27 6.16 0.00 -1.26 -4.88 120.51 119.34 2jr1 n ALA 60 Ca 0.15 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.71 2jr1 n ALA 60 Cb 0.51 0.19 0.73 0.00 0.00 0.00 0.00 19.45 20.88 2jr1 n ALA 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jr1 h ALA 61 N 0.00 1.51 -0.78 0.00 0.00 -1.78 -3.30 119.26 114.90 2jr1 h ALA 61 Ca 0.00 -0.08 0.18 0.00 0.00 0.00 0.00 54.91 55.01 2jr1 h ALA 61 Cb 0.76 -0.01 -0.12 0.00 0.00 0.00 0.00 17.79 18.42 2jr1 h ALA 61 CO 0.00 0.11 0.21 -0.92 0.00 0.00 0.00 179.25 178.64 2jr1 h TYR 62 N 0.00 0.32 -0.95 0.00 3.20 -1.63 0.87 116.97 118.79 2jr1 h TYR 62 Ca -0.00 0.04 0.01 0.00 3.14 0.00 0.00 58.73 61.93 2jr1 h TYR 62 Cb 0.19 -0.02 -0.05 0.00 1.54 0.00 0.00 36.73 38.40 2jr1 h TYR 62 CO 0.00 -0.11 0.63 0.00 -1.64 0.00 0.00 178.16 177.04 2jr1 h THR 63 N 0.27 1.23 -0.14 1.81 1.03 -1.86 -0.53 112.91 114.72 2jr1 h THR 63 Ca 0.46 -0.43 -0.16 0.00 -0.01 0.00 0.00 66.41 66.26 2jr1 h THR 63 Cb 0.82 -0.15 0.01 0.00 -1.07 0.00 0.00 68.15 67.75 2jr1 h THR 63 CO -0.54 0.23 -0.53 0.00 -0.01 0.00 0.00 175.52 174.67 2jr1 h ALA 64 N 1.42 0.26 -0.60 0.00 0.00 -1.60 -3.30 119.26 115.42 2jr1 h ALA 64 Ca 0.35 -0.51 0.07 0.00 0.00 0.00 0.00 54.91 54.82 2jr1 h ALA 64 Cb -0.12 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.59 2jr1 h ALA 64 CO -0.08 0.46 0.30 2.35 0.00 0.00 0.00 179.25 182.28 2jr1 h TRP 65 N 0.27 0.54 -0.20 0.00 7.01 -0.75 -3.08 115.95 119.74 2jr1 h TRP 65 Ca -0.03 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.00 2jr1 h TRP 65 Cb 1.16 -0.15 -0.01 0.00 -2.10 0.00 0.00 29.16 28.06 2jr1 h TRP 65 CO 0.10 0.23 0.12 0.87 -2.79 0.00 0.00 178.44 176.97 2jr1 h LYS 66 N 0.55 0.26 -0.31 2.65 1.79 -1.22 -1.02 116.57 119.27 2jr1 h LYS 66 Ca 0.28 -0.02 -0.08 0.00 -2.18 0.00 0.00 60.65 58.65 2jr1 h LYS 66 Cb 0.23 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 30.81 2jr1 h LYS 66 CO -0.21 0.18 -0.16 0.00 -1.08 0.00 0.00 179.45 178.18 2jr1 h ALA 67 N 1.87 1.16 -0.06 3.86 0.00 -1.62 -3.34 119.26 121.12 2jr1 h ALA 67 Ca 0.07 -0.30 -0.17 0.00 0.00 0.00 0.00 54.91 54.51 2jr1 h ALA 67 Cb -0.02 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 17.65 2jr1 h ALA 67 CO -0.01 0.53 -0.62 0.87 0.00 0.00 0.00 179.25 180.02 2jr1 h LYS 68 N 0.50 0.53 -4.37 0.00 6.56 -1.30 -3.48 116.57 115.00 2jr1 h LYS 68 Ca 0.09 -0.48 -0.24 0.00 -1.06 0.00 0.00 60.65 58.95 2jr1 h LYS 68 Cb 0.56 0.12 -0.21 0.00 -0.57 0.00 0.00 32.23 32.13 2jr1 h LYS 68 CO 0.04 1.12 -0.72 -1.01 -2.06 0.00 0.00 179.45 176.81 2jr1 s HIS 69 N -3.50 0.54 0.00 -1.35 3.76 -0.46 -5.13 115.29 109.15 2jr1 s HIS 69 Ca -0.12 -0.53 0.00 0.00 -0.15 0.00 0.00 55.06 54.25 2jr1 s HIS 69 Cb 0.05 -0.34 0.00 0.00 1.11 0.00 0.00 32.58 33.41 2jr1 s HIS 69 CO 0.84 -0.13 0.24 -0.35 -0.85 0.00 0.00 174.74 174.49 2jr1 n PRO 70 N 1.44 0.00 -3.43 8.40 -0.04 -1.26 -4.24 135.00 135.86 2jr1 n PRO 70 Ca -0.23 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 62.97 2jr1 n PRO 70 Cb 0.55 -0.70 -0.09 0.00 -0.04 0.00 0.00 33.50 33.22 2jr1 n PRO 70 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2jr1 n ASP 71 N -0.43 1.42 0.03 3.54 2.03 -1.26 -4.84 116.55 117.04 2jr1 n ASP 71 Ca 0.00 -2.89 -0.21 0.00 0.52 0.00 0.00 54.79 52.21 2jr1 n ASP 71 Cb 0.00 -0.65 -0.14 0.00 -0.72 0.00 0.00 41.12 39.61 2jr1 n ASP 71 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 2jr1 h GLU 72 N 4.72 0.27 -6.52 -0.67 4.81 -1.93 -3.46 114.58 111.80 2jr1 h GLU 72 Ca 0.17 -0.46 -0.53 0.00 -0.13 0.00 0.00 59.36 58.41 2jr1 h GLU 72 Cb 0.81 0.17 -0.03 0.00 0.63 0.00 0.00 28.75 30.33 2jr1 h GLU 72 CO 0.58 1.22 0.16 0.21 -0.73 0.00 0.00 179.01 180.45 2jr1 s LYS 73 N -2.46 4.50 0.19 1.92 2.36 -1.26 -3.98 119.74 121.00 2jr1 s LYS 73 Ca -0.17 1.10 -0.30 0.00 -2.55 0.00 0.00 55.97 54.04 2jr1 s LYS 73 Cb 0.03 -3.20 -0.08 0.00 -1.05 0.00 0.00 37.83 33.54 2jr1 s LYS 73 CO 0.79 0.55 1.07 0.12 1.55 0.00 0.00 175.35 179.43 2jr1 s PHE 74 N -1.21 3.66 -1.17 4.03 5.36 -1.26 -4.94 117.98 122.45 2jr1 s PHE 74 Ca 0.37 1.66 -0.23 0.00 -0.96 0.00 0.00 56.93 57.77 2jr1 s PHE 74 Cb -0.22 -3.22 -0.08 0.00 -0.34 0.00 0.00 43.02 39.16 2jr1 s PHE 74 CO 0.25 -0.40 1.93 -1.25 -1.46 0.00 0.00 175.22 174.28 2jr1 s PRO 75 N -0.51 2.57 -0.18 10.12 0.04 -1.26 -4.93 135.00 140.84 2jr1 s PRO 75 Ca 0.48 -1.15 -0.07 0.00 0.04 0.00 0.00 61.00 60.30 2jr1 s PRO 75 Cb -0.29 -5.24 -0.04 0.00 0.04 0.00 0.00 34.50 28.97 2jr1 s PRO 75 CO 0.35 -3.87 0.05 0.00 0.04 0.00 0.00 177.00 173.57 2jr1 s ALA 76 N 10.66 3.35 0.27 8.56 0.00 -1.26 -5.12 121.76 138.21 2jr1 s ALA 76 Ca 0.68 -0.75 0.02 0.00 0.00 0.00 0.00 51.96 51.91 2jr1 s ALA 76 Cb -0.01 -1.86 -0.03 0.00 0.00 0.00 0.00 23.12 21.21 2jr1 s ALA 76 CO 0.12 0.19 0.44 -0.59 0.00 0.00 0.00 175.76 175.91 2jr1 s PHE 77 N 0.36 3.48 -0.50 0.00 -0.71 -1.26 -4.31 117.98 115.02 2jr1 s PHE 77 Ca 0.02 0.18 -0.28 0.00 -1.04 0.00 0.00 56.93 55.81 2jr1 s PHE 77 Cb -0.13 -1.74 0.01 0.00 -1.21 0.00 0.00 43.02 39.95 2jr1 s PHE 77 CO 0.00 0.31 1.48 -1.25 -1.34 0.00 0.00 175.22 174.42 2jr1 s PRO 78 N -3.99 3.33 0.00 1.99 0.04 -1.26 -4.74 135.00 130.38 2jr1 s PRO 78 Ca 0.37 0.69 0.00 0.00 0.04 0.00 0.00 61.00 62.10 2jr1 s PRO 78 Cb -0.10 -4.12 0.00 0.00 0.04 0.00 0.00 34.50 30.32 2jr1 s PRO 78 CO 0.32 -1.88 0.00 0.41 0.04 0.00 0.00 177.00 175.88