#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 0.68 -2.22 -2.13 -1.24 -2.07 -3.39 115.58 105.22 2jr1 h ASN 2 Ca 0.00 -0.19 -0.52 0.00 0.71 0.00 0.00 56.30 56.30 2jr1 h ASN 2 Cb 0.00 -0.18 -0.04 0.00 0.73 0.00 0.00 38.32 38.83 2jr1 h ASN 2 CO 0.00 0.69 1.27 0.54 -1.29 0.00 0.00 177.43 178.64 2jr1 s VAL 3 N -5.48 3.48 -0.07 2.57 0.11 -1.26 -4.97 120.40 114.78 2jr1 s VAL 3 Ca -0.13 0.33 -0.03 0.00 -2.93 0.00 0.00 61.98 59.22 2jr1 s VAL 3 Cb 0.11 -4.13 0.04 0.00 -1.53 0.00 0.00 36.38 30.87 2jr1 s VAL 3 CO 0.78 -1.04 0.13 -0.75 -3.33 0.00 0.00 175.10 170.89 2jr1 s LYS 4 N 6.51 0.02 1.09 1.54 2.20 -1.26 -5.13 119.74 124.71 2jr1 s LYS 4 Ca 0.61 0.47 -0.14 0.00 -0.36 0.00 0.00 55.97 56.56 2jr1 s LYS 4 Cb -0.12 -0.30 0.24 0.00 -1.51 0.00 0.00 37.83 36.14 2jr1 s LYS 4 CO 0.22 -0.28 1.07 -0.65 -0.36 0.00 0.00 175.35 175.35 2jr1 s GLN 5 N 1.99 -0.35 0.40 4.03 1.11 -1.26 -4.94 119.66 120.65 2jr1 s GLN 5 Ca 0.00 0.48 -0.07 0.00 0.01 0.00 0.00 55.36 55.78 2jr1 s GLN 5 Cb -0.12 -1.65 -0.05 0.00 -1.01 0.00 0.00 33.01 30.18 2jr1 s GLN 5 CO -0.05 -3.25 0.71 0.15 0.01 0.00 0.00 175.29 172.87 2jr1 s LYS 6 N -4.90 3.64 -0.22 2.91 -0.14 -1.26 -5.05 119.74 114.73 2jr1 s LYS 6 Ca 0.67 0.22 -0.02 0.00 -1.36 0.00 0.00 55.97 55.48 2jr1 s LYS 6 Cb -0.19 -2.46 0.07 0.00 -1.68 0.00 0.00 37.83 33.57 2jr1 s LYS 6 CO 0.59 -0.03 0.04 0.45 -0.76 0.00 0.00 175.35 175.64 2jr1 s SER 7 N -3.55 3.25 -0.43 2.83 0.15 -1.26 -4.99 113.70 109.70 2jr1 s SER 7 Ca 0.48 -1.02 -0.10 0.00 0.70 0.00 0.00 55.95 56.00 2jr1 s SER 7 Cb -0.10 -0.72 0.08 0.00 -1.71 0.00 0.00 66.02 63.57 2jr1 s SER 7 CO 0.36 -0.32 0.29 -1.61 1.20 0.00 0.00 173.24 173.16 2jr1 s GLU 8 N 1.76 2.66 -0.01 5.44 2.02 -1.25 -3.05 118.70 126.26 2jr1 s GLU 8 Ca 0.00 -1.47 0.04 0.00 0.02 0.00 0.00 54.97 53.56 2jr1 s GLU 8 Cb -0.17 -3.86 -0.03 0.00 0.10 0.00 0.00 34.13 30.17 2jr1 s GLU 8 CO -0.11 -0.99 -0.11 0.42 0.02 0.00 0.00 175.26 174.48 2jr1 s ILE 9 N 1.46 3.31 1.08 -1.63 -1.09 0.10 -5.01 121.20 119.41 2jr1 s ILE 9 Ca 0.03 -0.81 -0.12 0.00 -2.23 0.00 0.00 60.65 57.52 2jr1 s ILE 9 Cb -0.24 -2.38 0.24 0.00 -1.58 0.00 0.00 42.46 38.50 2jr1 s ILE 9 CO 0.03 0.46 1.06 0.28 -1.23 0.00 0.00 174.94 175.54 2jr1 s THR 10 N -0.88 2.10 0.13 2.92 -1.32 -1.26 -2.83 115.64 114.50 2jr1 s THR 10 Ca 0.14 0.03 -0.31 0.00 -1.21 0.00 0.00 61.69 60.34 2jr1 s THR 10 Cb -0.11 -2.16 -0.08 0.00 -1.51 0.00 0.00 72.50 68.64 2jr1 s THR 10 CO 0.04 -0.04 1.42 0.00 -2.21 0.00 0.00 174.62 173.84 2jr1 s ALA 11 N -2.58 3.63 0.15 11.08 0.00 -1.15 -4.71 121.76 128.17 2jr1 s ALA 11 Ca 0.67 1.18 0.05 0.00 0.00 0.00 0.00 51.96 53.86 2jr1 s ALA 11 Cb -0.23 -3.55 -0.04 0.00 0.00 0.00 0.00 23.12 19.30 2jr1 s ALA 11 CO 0.62 -0.65 0.09 -0.51 0.00 0.00 0.00 175.76 175.32 2jr1 s LEU 12 N 0.99 3.70 0.36 0.00 2.01 -1.26 -4.94 118.68 119.54 2jr1 s LEU 12 Ca 0.65 -0.15 -0.28 0.00 0.01 0.00 0.00 54.13 54.35 2jr1 s LEU 12 Cb -0.38 -2.34 -0.11 0.00 0.01 0.00 0.00 46.19 43.37 2jr1 s LEU 12 CO 0.31 0.10 1.49 0.68 1.01 0.00 0.00 176.35 179.94 2jr1 s VAL 13 N -1.65 2.09 0.41 -1.59 -7.23 -1.26 -4.55 120.40 106.63 2jr1 s VAL 13 Ca 0.30 0.09 -0.25 0.00 -1.81 0.00 0.00 61.98 60.31 2jr1 s VAL 13 Cb -0.10 -3.06 -0.08 0.00 0.56 0.00 0.00 36.38 33.70 2jr1 s VAL 13 CO 0.22 0.02 1.18 -0.75 -0.31 0.00 0.00 175.10 175.46 2jr1 s LYS 14 N -1.88 3.99 0.08 4.82 2.20 -1.03 -4.97 119.74 122.94 2jr1 s LYS 14 Ca 0.54 1.84 -0.31 0.00 -0.36 0.00 0.00 55.97 57.69 2jr1 s LYS 14 Cb -0.46 -2.62 -0.09 0.00 -1.51 0.00 0.00 37.83 33.14 2jr1 s LYS 14 CO 0.61 -0.38 1.81 -1.21 -0.36 0.00 0.00 175.35 175.82 2jr1 s GLU 15 N -2.38 4.15 -0.01 4.03 8.01 -1.26 -4.32 118.70 126.92 2jr1 s GLU 15 Ca 0.58 2.52 0.00 0.00 0.01 0.00 0.00 54.97 58.09 2jr1 s GLU 15 Cb -0.31 -3.75 0.02 0.00 -4.31 0.00 0.00 34.13 25.78 2jr1 s GLU 15 CO 0.38 -0.85 0.01 0.08 0.01 0.00 0.00 175.26 174.90 2jr1 s VAL 16 N 3.19 0.00 -0.05 2.63 1.01 -1.26 -5.03 120.40 120.89 2jr1 s VAL 16 Ca 0.81 0.10 -0.19 0.00 0.00 0.00 0.00 61.98 62.70 2jr1 s VAL 16 Cb -0.43 -0.07 -0.14 0.00 0.00 0.00 0.00 36.38 35.73 2jr1 s VAL 16 CO 0.36 0.06 0.78 0.74 0.00 0.00 0.00 175.10 177.04 2jr1 h THR 17 N 5.76 0.69 -4.19 3.92 2.02 -1.96 -3.46 112.91 115.70 2jr1 h THR 17 Ca -0.36 -1.06 -0.50 0.00 0.77 0.00 0.00 66.41 65.26 2jr1 h THR 17 Cb 1.16 1.16 0.14 0.00 -1.74 0.00 0.00 68.15 68.87 2jr1 h THR 17 CO 0.49 0.18 0.28 -2.16 0.37 0.00 0.00 175.52 174.69 2jr1 s PRO 18 N -3.28 1.71 -1.26 6.66 0.04 -1.26 -4.91 135.00 132.70 2jr1 s PRO 18 Ca -0.11 0.98 -0.19 0.00 0.04 0.00 0.00 61.00 61.72 2jr1 s PRO 18 Cb 0.00 -1.85 0.02 0.00 0.04 0.00 0.00 34.50 32.71 2jr1 s PRO 18 CO 0.42 -1.97 1.83 -0.35 0.04 0.00 0.00 177.00 176.96 2jr1 n PRO 19 N -3.72 2.66 -3.62 0.56 -0.04 -1.26 -4.86 135.00 124.72 2jr1 n PRO 19 Ca 0.08 -2.97 -0.15 0.00 -0.04 0.00 0.00 63.50 60.42 2jr1 n PRO 19 Cb 0.54 -3.55 -0.07 0.00 -0.04 0.00 0.00 33.50 30.38 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 4.87 0.84 -0.19 0.54 0.52 -1.26 -5.17 118.95 119.10 2jr1 s ARG 20 Ca 0.58 0.56 -0.01 0.00 -0.52 0.00 0.00 55.73 56.34 2jr1 s ARG 20 Cb 0.03 0.40 0.01 0.00 0.52 0.00 0.00 34.95 35.91 2jr1 s ARG 20 CO 0.09 -0.18 -0.14 0.15 0.02 0.00 0.00 175.30 175.24 2jr1 s LYS 21 N -0.36 3.14 -0.21 3.54 -0.14 -1.26 -4.66 119.74 119.79 2jr1 s LYS 21 Ca -0.05 -0.75 -0.19 0.00 -1.36 0.00 0.00 55.97 53.61 2jr1 s LYS 21 Cb -0.03 -2.73 -0.03 0.00 -1.68 0.00 0.00 37.83 33.36 2jr1 s LYS 21 CO 0.04 -0.19 0.56 0.00 -0.76 0.00 0.00 175.35 175.00 2jr1 s ALA 22 N 1.33 3.56 -1.23 5.17 0.00 -1.26 -5.00 121.76 124.33 2jr1 s ALA 22 Ca 0.05 -0.39 -0.20 0.00 0.00 0.00 0.00 51.96 51.42 2jr1 s ALA 22 Cb -0.14 -2.89 0.05 0.00 0.00 0.00 0.00 23.12 20.14 2jr1 s ALA 22 CO -0.09 -0.55 1.71 -1.25 0.00 0.00 0.00 175.76 175.58 2jr1 s PRO 23 N 1.89 3.74 0.26 0.00 0.04 -1.26 -2.47 135.00 137.20 2jr1 s PRO 23 Ca 0.25 -1.72 -0.19 0.00 0.04 0.00 0.00 61.00 59.39 2jr1 s PRO 23 Cb -0.16 -5.47 -0.09 0.00 0.04 0.00 0.00 34.50 28.83 2jr1 s PRO 23 CO 0.10 -2.44 0.75 0.45 0.04 0.00 0.00 177.00 175.89 2jr1 s SER 24 N 4.68 7.00 -0.87 6.66 0.15 -1.26 -5.02 113.70 125.04 2jr1 s SER 24 Ca 0.54 1.42 -0.25 0.00 0.70 0.00 0.00 55.95 58.36 2jr1 s SER 24 Cb 0.03 -2.42 0.04 0.00 -1.71 0.00 0.00 66.02 61.95 2jr1 s SER 24 CO 0.05 -0.04 1.39 -0.54 1.20 0.00 0.00 173.24 175.30 2jr1 s LYS 25 N -2.26 3.34 -0.09 5.44 3.01 -1.26 -4.71 119.74 123.21 2jr1 s LYS 25 Ca 0.47 -0.62 -0.00 0.00 -1.01 0.00 0.00 55.97 54.80 2jr1 s LYS 25 Cb -0.15 -4.76 -0.03 0.00 -1.01 0.00 0.00 37.83 31.89 2jr1 s LYS 25 CO 0.20 -2.23 -0.07 0.00 0.51 0.00 0.00 175.35 173.76 2jr1 s ALA 26 N 5.61 2.95 -0.11 5.17 0.00 -1.26 -1.68 121.76 132.45 2jr1 s ALA 26 Ca 0.42 -0.87 -0.05 0.00 0.00 0.00 0.00 51.96 51.45 2jr1 s ALA 26 Cb -0.04 -1.30 0.05 0.00 0.00 0.00 0.00 23.12 21.82 2jr1 s ALA 26 CO 0.03 0.46 0.25 0.15 0.00 0.00 0.00 175.76 176.65 2jr1 s LYS 27 N -0.43 0.20 -0.29 0.00 3.01 -0.98 -2.95 119.74 118.30 2jr1 s LYS 27 Ca 0.06 0.55 0.01 0.00 -1.01 0.00 0.00 55.97 55.58 2jr1 s LYS 27 Cb -0.12 -0.12 0.07 0.00 -1.01 0.00 0.00 37.83 36.65 2jr1 s LYS 27 CO 0.02 -0.17 -0.03 1.03 0.51 0.00 0.00 175.35 176.71 2jr1 s ARG 28 N 1.34 2.18 -0.01 1.68 0.52 -1.13 -1.55 118.95 121.99 2jr1 s ARG 28 Ca -0.09 -1.43 -0.00 0.00 -0.52 0.00 0.00 55.73 53.70 2jr1 s ARG 28 Cb -0.10 -3.07 0.01 0.00 0.52 0.00 0.00 34.95 32.30 2jr1 s ARG 28 CO -0.09 -0.67 0.01 -1.21 0.02 0.00 0.00 175.30 173.37 2jr1 s GLU 29 N 1.12 -0.00 -0.20 3.54 8.01 -1.09 -0.72 118.70 129.36 2jr1 s GLU 29 Ca -0.04 0.06 -0.16 0.00 0.01 0.00 0.00 54.97 54.83 2jr1 s GLU 29 Cb -0.20 -0.06 -0.04 0.00 -4.31 0.00 0.00 34.13 29.53 2jr1 s GLU 29 CO -0.04 -0.04 0.42 0.00 0.01 0.00 0.00 175.26 175.61 2jr1 s ALA 30 N 0.26 3.55 0.00 5.21 0.00 -1.17 -1.88 121.76 127.74 2jr1 s ALA 30 Ca -0.02 -0.49 0.00 0.00 0.00 0.00 0.00 51.96 51.44 2jr1 s ALA 30 Cb -0.03 -2.66 0.00 0.00 0.00 0.00 0.00 23.12 20.43 2jr1 s ALA 30 CO -0.01 -0.30 0.00 -0.35 0.00 0.00 0.00 175.76 175.10 2jr1 n PRO 31 N 4.48 0.00 -4.12 0.00 -0.04 -1.26 -4.76 135.00 129.29 2jr1 n PRO 31 Ca -0.08 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.03 2jr1 n PRO 31 Cb 0.51 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.88 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 3.09 4.80 -0.19 0.52 -4.36 -1.26 -4.64 121.20 119.16 2jr1 s ILE 32 Ca 0.00 -0.05 0.26 0.00 -0.26 0.00 0.00 60.65 60.60 2jr1 s ILE 32 Cb 0.00 -3.09 0.32 0.00 1.25 0.00 0.00 42.46 40.94 2jr1 s ILE 32 CO 0.00 0.57 1.73 0.50 0.24 0.00 0.00 174.94 177.98 2jr1 h LYS 33 N 5.57 0.00 -0.79 0.37 1.63 -1.96 -2.95 116.57 118.44 2jr1 h LYS 33 Ca -0.48 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.31 2jr1 h LYS 33 Cb 1.20 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 32.79 2jr1 h LYS 33 CO 0.60 0.07 0.44 -0.92 -3.45 0.00 0.00 179.45 176.19 2jr1 h TYR 34 N 0.00 1.06 0.00 1.91 3.20 -1.99 -3.35 116.97 117.80 2jr1 h TYR 34 Ca -0.00 -0.02 -0.16 0.00 3.14 0.00 0.00 58.73 61.69 2jr1 h TYR 34 Cb 0.87 -0.34 -0.02 0.00 1.54 0.00 0.00 36.73 38.77 2jr1 h TYR 34 CO 0.00 0.73 -0.91 2.35 -1.64 0.00 0.00 178.16 178.69 2jr1 h TRP 35 N 1.09 0.00 -3.31 -3.82 2.91 -2.01 -3.48 115.95 107.34 2jr1 h TRP 35 Ca 0.28 0.00 -0.66 0.00 1.13 0.00 0.00 58.89 59.64 2jr1 h TRP 35 Cb 0.01 0.00 -0.29 0.00 -0.51 0.00 0.00 29.16 28.38 2jr1 h TRP 35 CO 0.01 1.25 -0.79 -0.48 -1.03 0.00 0.00 178.44 177.40 2jr1 s LEU 36 N -7.99 2.58 0.22 0.65 2.34 -1.11 -5.05 118.68 110.32 2jr1 s LEU 36 Ca -0.25 -0.40 0.21 0.00 0.06 0.00 0.00 54.13 53.75 2jr1 s LEU 36 Cb 0.04 -1.58 0.92 0.00 -0.56 0.00 0.00 46.19 45.00 2jr1 s LEU 36 CO 0.58 0.13 1.63 -0.81 -1.06 0.00 0.00 176.35 176.82 2jr1 n PRO 37 N 3.73 0.15 -3.93 1.48 -0.04 -1.26 -4.02 135.00 131.10 2jr1 n PRO 37 Ca -0.18 0.44 -0.30 0.00 -0.04 0.00 0.00 63.50 63.42 2jr1 n PRO 37 Cb 0.52 -1.82 -0.14 0.00 -0.04 0.00 0.00 33.50 32.03 2jr1 n PRO 37 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 2jr1 s HIS 38 N -3.30 3.11 -0.69 0.54 5.04 -1.26 -5.02 115.29 113.71 2jr1 s HIS 38 Ca 0.03 -3.09 -0.27 0.00 -1.54 0.00 0.00 55.06 50.19 2jr1 s HIS 38 Cb 0.08 -2.74 0.02 0.00 0.04 0.00 0.00 32.58 29.98 2jr1 s HIS 38 CO 0.32 -0.76 1.42 -1.12 -2.34 0.00 0.00 174.74 172.26 2jr1 s SER 39 N -0.15 5.96 0.00 9.88 0.01 -1.26 -4.59 113.70 123.56 2jr1 s SER 39 Ca 0.17 -0.19 0.00 0.00 1.31 0.00 0.00 55.95 57.24 2jr1 s SER 39 Cb -0.25 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.43 2jr1 s SER 39 CO -0.01 -1.94 0.00 0.61 0.41 0.00 0.00 173.24 172.31 2jr1 n GLY 40 N 5.43 -0.27 3.20 3.44 0.00 -1.23 -4.59 105.19 111.18 2jr1 n GLY 40 Ca 0.08 0.17 -0.30 0.00 0.00 0.00 0.00 46.02 45.96 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 1.99 -0.19 4.61 0.00 -0.79 -4.87 121.76 122.52 2jr1 s ALA 41 Ca 0.00 -0.90 -0.21 0.00 0.00 0.00 0.00 51.96 50.85 2jr1 s ALA 41 Cb 0.00 -0.70 -0.03 0.00 0.00 0.00 0.00 23.12 22.39 2jr1 s ALA 41 CO 0.00 0.31 0.63 -0.08 0.00 0.00 0.00 175.76 176.61 2jr1 s THR 42 N 0.18 5.03 -0.23 0.00 -1.32 -1.26 -2.67 115.64 115.38 2jr1 s THR 42 Ca -0.12 1.19 0.01 0.00 -1.21 0.00 0.00 61.69 61.56 2jr1 s THR 42 Cb -0.16 -3.94 0.06 0.00 -1.51 0.00 0.00 72.50 66.95 2jr1 s THR 42 CO 0.06 0.13 -0.06 0.86 -2.21 0.00 0.00 174.62 173.40 2jr1 s TRP 43 N 1.78 2.40 -0.52 9.09 -0.11 -0.60 -5.00 118.94 125.98 2jr1 s TRP 43 Ca 0.29 -1.74 -0.14 0.00 1.22 0.00 0.00 56.10 55.73 2jr1 s TRP 43 Cb -0.16 -1.58 0.13 0.00 -1.50 0.00 0.00 33.47 30.35 2jr1 s TRP 43 CO 0.11 -0.77 0.46 -1.54 -4.62 0.00 0.00 176.95 170.59 2jr1 s SER 44 N 1.39 6.07 0.00 5.86 1.04 -1.26 -2.33 113.70 124.47 2jr1 s SER 44 Ca -0.05 -1.83 0.00 0.00 0.48 0.00 0.00 55.95 54.55 2jr1 s SER 44 Cb -0.19 -2.16 0.00 0.00 0.10 0.00 0.00 66.02 63.78 2jr1 s SER 44 CO -0.06 -0.82 0.00 0.61 0.98 0.00 0.00 173.24 173.95 2jr1 n GLY 45 N 5.16 -0.21 3.74 7.32 0.00 -0.67 -4.92 105.19 115.60 2jr1 n GLY 45 Ca -0.12 0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 4.53 -1.29 1.61 3.00 -1.26 -4.16 118.95 121.38 2jr1 s ARG 46 Ca 0.00 1.80 -0.18 0.00 -1.00 0.00 0.00 55.73 56.35 2jr1 s ARG 46 Cb 0.00 -3.27 0.04 0.00 0.00 0.00 0.00 34.95 31.72 2jr1 s ARG 46 CO 0.00 -0.04 1.85 0.41 0.00 0.00 0.00 175.30 177.53 2jr1 n GLY 47 N 2.21 2.69 3.67 8.12 0.00 -1.26 -4.86 105.19 115.76 2jr1 n GLY 47 Ca 0.04 -1.38 -0.41 0.00 0.00 0.00 0.00 46.02 44.27 2jr1 n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jr1 s LYS 48 N 4.37 4.29 -0.17 1.61 0.00 -1.26 -5.06 119.74 123.52 2jr1 s LYS 48 Ca 0.55 1.02 -0.01 0.00 0.00 0.00 0.00 55.97 57.53 2jr1 s LYS 48 Cb 0.05 -3.58 0.05 0.00 0.00 0.00 0.00 37.83 34.35 2jr1 s LYS 48 CO 0.06 -0.36 -0.03 0.42 0.00 0.00 0.00 175.35 175.45 2jr1 s ILE 49 N 2.25 0.96 -0.05 3.79 1.09 -1.26 -4.78 121.20 123.20 2jr1 s ILE 49 Ca 0.38 -0.62 -0.00 0.00 -1.10 0.00 0.00 60.65 59.31 2jr1 s ILE 49 Cb -0.16 -1.22 0.02 0.00 -1.06 0.00 0.00 42.46 40.04 2jr1 s ILE 49 CO 0.12 0.04 2.08 -0.81 -0.10 0.00 0.00 174.94 176.26 2jr1 n PRO 50 N 4.91 1.18 0.03 2.79 -0.04 -1.26 -4.49 135.00 138.12 2jr1 n PRO 50 Ca -0.11 -0.30 -0.12 0.00 -0.04 0.00 0.00 63.50 62.93 2jr1 n PRO 50 Cb 0.47 -1.14 -0.09 0.00 -0.04 0.00 0.00 33.50 32.70 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 1.17 -0.15 0.00 0.54 1.79 -1.98 -1.16 116.57 116.78 2jr1 h LYS 51 Ca 0.06 0.01 -0.03 0.00 -2.18 0.00 0.00 60.65 58.51 2jr1 h LYS 51 Cb 1.01 0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 31.69 2jr1 h LYS 51 CO 0.13 0.34 -0.12 -1.00 -1.08 0.00 0.00 179.45 177.72 2jr1 h PRO 52 N -0.77 0.00 0.33 3.15 0.13 -1.98 -2.05 132.00 130.81 2jr1 h PRO 52 Ca -0.02 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.10 2jr1 h PRO 52 Cb 0.55 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.69 2jr1 h PRO 52 CO 0.03 0.12 -0.16 0.35 -0.23 0.00 0.00 178.00 178.11 2jr1 h PHE 53 N 0.00 -0.41 0.00 1.56 3.57 -1.89 -2.78 116.94 117.00 2jr1 h PHE 53 Ca -0.00 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.49 2jr1 h PHE 53 Cb 0.25 0.14 -0.00 0.00 2.79 0.00 0.00 35.95 39.13 2jr1 h PHE 53 CO 0.00 -0.25 -0.00 1.49 -2.23 0.00 0.00 178.31 177.31 2jr1 h GLU 54 N -0.82 0.00 0.26 1.11 4.81 -1.27 0.60 114.58 119.27 2jr1 h GLU 54 Ca -0.05 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 2jr1 h GLU 54 Cb 0.34 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.72 2jr1 h GLU 54 CO 0.07 0.00 -0.13 0.00 -0.73 0.00 0.00 179.01 178.23 2jr1 h ALA 55 N 2.00 -0.35 -0.87 2.92 0.00 -1.52 -2.90 119.26 118.53 2jr1 h ALA 55 Ca -0.00 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 2jr1 h ALA 55 Cb 0.25 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 2jr1 h ALA 55 CO 0.00 -0.45 0.45 2.35 0.00 0.00 0.00 179.25 181.60 2jr1 h TRP 56 N -0.86 1.22 0.00 0.00 2.91 -1.18 0.99 115.95 119.03 2jr1 h TRP 56 Ca -0.04 -0.05 0.00 0.00 1.13 0.00 0.00 58.89 59.94 2jr1 h TRP 56 Cb 0.51 -0.38 0.00 0.00 -0.51 0.00 0.00 29.16 28.78 2jr1 h TRP 56 CO 0.05 0.86 0.00 -0.89 -1.03 0.00 0.00 178.44 177.43 2jr1 n ILE 57 N -4.32 0.66 -0.07 2.65 2.08 0.18 -3.22 119.36 117.32 2jr1 n ILE 57 Ca 0.09 0.17 -0.09 0.00 0.56 0.00 0.00 62.75 63.47 2jr1 n ILE 57 Cb 0.12 -1.06 -0.08 0.00 -0.75 0.00 0.00 39.64 37.87 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 -0.70 -0.31 0.35 7.39 0.00 -0.48 -3.71 105.19 107.73 2jr1 n GLY 58 Ca 0.04 -0.13 0.06 0.00 0.00 0.00 0.00 46.02 45.99 2jr1 n GLY 58 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2jr1 n THR 59 N -2.82 -0.41 0.00 2.61 -1.04 0.22 -2.05 114.28 110.80 2jr1 n THR 59 Ca -0.25 2.23 0.00 0.00 -2.04 0.00 0.00 64.05 63.99 2jr1 n THR 59 Cb 0.81 -3.09 0.00 0.00 -1.82 0.00 0.00 70.33 66.23 2jr1 n THR 59 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jr1 n ALA 60 N -3.62 1.92 0.25 2.41 0.00 -1.26 -4.86 120.51 115.35 2jr1 n ALA 60 Ca 0.16 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.73 2jr1 n ALA 60 Cb 0.50 0.12 0.57 0.00 0.00 0.00 0.00 19.45 20.64 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 1.02 -0.87 0.00 0.00 -1.76 -3.35 119.26 114.31 2jr1 h ALA 61 Ca 0.00 -0.10 0.22 0.00 0.00 0.00 0.00 54.91 55.03 2jr1 h ALA 61 Cb 0.50 -0.02 -0.13 0.00 0.00 0.00 0.00 17.79 18.14 2jr1 h ALA 61 CO 0.00 0.14 0.30 -0.92 0.00 0.00 0.00 179.25 178.77 2jr1 h TYR 62 N 0.00 0.47 -0.34 0.00 3.20 -1.49 0.11 116.97 118.92 2jr1 h TYR 62 Ca -0.00 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.90 2jr1 h TYR 62 Cb 0.62 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.80 2jr1 h TYR 62 CO 0.00 -0.13 0.14 0.00 -1.64 0.00 0.00 178.16 176.53 2jr1 h THR 63 N 0.30 1.13 0.22 1.81 1.03 -1.84 0.27 112.91 115.83 2jr1 h THR 63 Ca 0.54 -0.42 -0.30 0.00 -0.01 0.00 0.00 66.41 66.22 2jr1 h THR 63 Cb 1.05 0.73 0.04 0.00 -1.07 0.00 0.00 68.15 68.89 2jr1 h THR 63 CO -0.58 0.16 -1.32 0.00 -0.01 0.00 0.00 175.52 173.77 2jr1 h ALA 64 N 1.68 -0.14 -0.73 0.00 0.00 -1.57 -3.33 119.26 115.17 2jr1 h ALA 64 Ca 0.12 -0.82 0.03 0.00 0.00 0.00 0.00 54.91 54.25 2jr1 h ALA 64 Cb 0.10 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 2jr1 h ALA 64 CO -0.01 0.62 0.45 2.35 0.00 0.00 0.00 179.25 182.66 2jr1 h TRP 65 N 0.05 0.85 -0.35 0.00 7.01 -0.74 -2.75 115.95 120.01 2jr1 h TRP 65 Ca -0.23 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 60.77 2jr1 h TRP 65 Cb 2.04 -0.28 -0.02 0.00 -2.10 0.00 0.00 29.16 28.81 2jr1 h TRP 65 CO 0.14 0.48 0.13 0.87 -2.79 0.00 0.00 178.44 177.27 2jr1 h LYS 66 N 0.88 0.50 -0.52 2.65 1.79 -1.09 -0.06 116.57 120.72 2jr1 h LYS 66 Ca 0.30 -0.06 -0.09 0.00 -2.18 0.00 0.00 60.65 58.61 2jr1 h LYS 66 Cb 0.04 -0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 30.57 2jr1 h LYS 66 CO -0.12 0.43 -0.04 0.00 -1.08 0.00 0.00 179.45 178.64 2jr1 h ALA 67 N 1.65 0.94 -0.11 3.86 0.00 -1.65 -3.35 119.26 120.60 2jr1 h ALA 67 Ca 0.12 -0.31 -0.10 0.00 0.00 0.00 0.00 54.91 54.62 2jr1 h ALA 67 Cb 0.13 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2jr1 h ALA 67 CO -0.01 0.63 -0.33 0.87 0.00 0.00 0.00 179.25 180.41 2jr1 h LYS 68 N 0.84 0.42 -4.50 0.00 1.57 -1.16 -3.47 116.57 110.26 2jr1 h LYS 68 Ca 0.15 -0.30 -0.31 0.00 -1.87 0.00 0.00 60.65 58.32 2jr1 h LYS 68 Cb 0.56 0.05 -0.25 0.00 0.08 0.00 0.00 32.23 32.67 2jr1 h LYS 68 CO 0.03 0.92 -0.75 -1.01 -0.57 0.00 0.00 179.45 178.08 2jr1 s HIS 69 N -3.82 0.62 -0.00 -1.35 3.76 -0.07 -5.12 115.29 109.31 2jr1 s HIS 69 Ca -0.14 -0.30 -0.03 0.00 -0.15 0.00 0.00 55.06 54.44 2jr1 s HIS 69 Cb 0.05 -0.38 -0.02 0.00 1.11 0.00 0.00 32.58 33.34 2jr1 s HIS 69 CO 0.79 -0.04 0.59 -1.00 -0.85 0.00 0.00 174.74 174.23 2jr1 h PRO 70 N 5.22 -0.12 -2.01 8.40 0.13 -1.85 -3.36 132.00 138.41 2jr1 h PRO 70 Ca -0.32 0.01 -0.50 0.00 -0.87 0.00 0.00 66.00 64.31 2jr1 h PRO 70 Cb 1.20 0.03 -0.40 0.00 0.13 0.00 0.00 31.00 31.95 2jr1 h PRO 70 CO 0.45 -0.08 -1.15 -3.47 -0.23 0.00 0.00 178.00 173.53 2jr1 n ASP 71 N -2.53 0.87 -0.01 1.44 2.03 -1.26 -4.83 116.55 112.25 2jr1 n ASP 71 Ca -0.01 -2.97 -0.10 0.00 0.52 0.00 0.00 54.79 52.22 2jr1 n ASP 71 Cb 0.05 -0.62 -0.08 0.00 -0.72 0.00 0.00 41.12 39.74 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 3.24 -0.08 -6.91 -0.67 4.81 -1.93 -3.46 114.58 109.58 2jr1 h GLU 72 Ca 0.10 0.01 -0.52 0.00 -0.13 0.00 0.00 59.36 58.81 2jr1 h GLU 72 Cb 0.93 0.02 0.07 0.00 0.63 0.00 0.00 28.75 30.40 2jr1 h GLU 72 CO 0.51 0.49 0.62 0.21 -0.73 0.00 0.00 179.01 180.11 2jr1 s LYS 73 N -2.75 4.16 0.25 1.92 2.20 -1.26 -4.29 119.74 119.98 2jr1 s LYS 73 Ca -0.13 2.17 -0.30 0.00 -0.36 0.00 0.00 55.97 57.35 2jr1 s LYS 73 Cb -0.01 -2.91 -0.09 0.00 -1.51 0.00 0.00 37.83 33.31 2jr1 s LYS 73 CO 0.49 -0.33 1.30 0.12 -0.36 0.00 0.00 175.35 176.56 2jr1 s PHE 74 N -1.21 3.21 -1.12 4.03 5.36 -1.26 -4.94 117.98 122.05 2jr1 s PHE 74 Ca 0.53 1.32 -0.20 0.00 -0.96 0.00 0.00 56.93 57.62 2jr1 s PHE 74 Cb -0.39 -3.61 -0.06 0.00 -0.34 0.00 0.00 43.02 38.63 2jr1 s PHE 74 CO 0.50 -1.80 1.96 -0.35 -1.46 0.00 0.00 175.22 174.08 2jr1 n PRO 75 N 1.88 2.12 -3.18 10.12 -0.04 -1.26 -4.94 135.00 139.70 2jr1 n PRO 75 Ca 0.03 -2.41 -0.39 0.00 -0.04 0.00 0.00 63.50 60.69 2jr1 n PRO 75 Cb 0.42 -3.30 -0.05 0.00 -0.04 0.00 0.00 33.50 30.54 2jr1 n PRO 75 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jr1 s ALA 76 N 5.90 3.40 0.30 0.55 0.00 -1.26 -5.10 121.76 125.55 2jr1 s ALA 76 Ca 0.57 -0.02 0.04 0.00 0.00 0.00 0.00 51.96 52.55 2jr1 s ALA 76 Cb 0.09 -2.81 -0.03 0.00 0.00 0.00 0.00 23.12 20.38 2jr1 s ALA 76 CO 0.07 -0.05 0.46 -0.59 0.00 0.00 0.00 175.76 175.64 2jr1 s PHE 77 N 0.71 3.39 -0.93 0.00 -0.71 -1.26 -4.27 117.98 114.91 2jr1 s PHE 77 Ca 0.32 0.07 -0.24 0.00 -1.04 0.00 0.00 56.93 56.03 2jr1 s PHE 77 Cb -0.16 -1.79 0.04 0.00 -1.21 0.00 0.00 43.02 39.89 2jr1 s PHE 77 CO 0.14 0.21 1.43 -1.25 -1.34 0.00 0.00 175.22 174.41 2jr1 s PRO 78 N -4.15 3.41 0.00 1.99 0.04 -1.26 -4.75 135.00 130.28 2jr1 s PRO 78 Ca 0.39 -0.80 0.08 0.00 0.04 0.00 0.00 61.00 60.70 2jr1 s PRO 78 Cb -0.09 -4.99 0.06 0.00 0.04 0.00 0.00 34.50 29.51 2jr1 s PRO 78 CO 0.32 -2.25 0.74 0.41 0.04 0.00 0.00 177.00 176.26