#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 0.69 -2.89 4.37 -1.24 -2.04 -3.45 115.58 111.02 2jr1 h ASN 2 Ca 0.00 -0.08 -0.53 0.00 0.71 0.00 0.00 56.30 56.40 2jr1 h ASN 2 Cb 0.00 -0.18 0.04 0.00 0.73 0.00 0.00 38.32 38.91 2jr1 h ASN 2 CO 0.00 0.57 0.82 0.54 -1.29 0.00 0.00 177.43 178.08 2jr1 s VAL 3 N -5.89 2.88 0.03 2.57 0.11 -1.26 -5.05 120.40 113.79 2jr1 s VAL 3 Ca -0.13 0.63 0.01 0.00 -2.93 0.00 0.00 61.98 59.56 2jr1 s VAL 3 Cb 0.12 -3.41 -0.02 0.00 -1.53 0.00 0.00 36.38 31.55 2jr1 s VAL 3 CO 0.76 0.05 -0.05 -0.54 -3.33 0.00 0.00 175.10 171.99 2jr1 s LYS 4 N 1.13 0.40 1.12 1.54 1.02 -1.26 -5.10 119.74 118.59 2jr1 s LYS 4 Ca 0.68 -0.63 -0.16 0.00 0.02 0.00 0.00 55.97 55.88 2jr1 s LYS 4 Cb -0.41 -0.10 0.25 0.00 -0.52 0.00 0.00 37.83 37.05 2jr1 s LYS 4 CO 0.31 0.00 1.09 -0.65 -0.92 0.00 0.00 175.35 175.18 2jr1 s GLN 5 N -1.40 -0.59 0.01 1.68 -1.52 -1.26 -4.96 119.66 111.63 2jr1 s GLN 5 Ca -0.12 0.23 -0.27 0.00 -1.95 0.00 0.00 55.36 53.25 2jr1 s GLN 5 Cb -0.09 -1.64 -0.04 0.00 -0.22 0.00 0.00 33.01 31.01 2jr1 s GLN 5 CO -0.00 -3.35 0.86 0.15 -0.25 0.00 0.00 175.29 172.70 2jr1 s LYS 6 N -5.15 4.54 -0.30 2.91 -0.14 -1.26 -4.95 119.74 115.40 2jr1 s LYS 6 Ca 0.68 1.21 0.02 0.00 -1.36 0.00 0.00 55.97 56.53 2jr1 s LYS 6 Cb -0.15 -3.42 0.09 0.00 -1.68 0.00 0.00 37.83 32.67 2jr1 s LYS 6 CO 0.57 0.10 0.02 -1.12 -0.76 0.00 0.00 175.35 174.16 2jr1 s SER 7 N 0.53 4.35 -0.47 2.83 0.01 -1.26 -4.98 113.70 114.71 2jr1 s SER 7 Ca 0.44 -1.72 -0.06 0.00 1.31 0.00 0.00 55.95 55.92 2jr1 s SER 7 Cb -0.20 -1.35 0.12 0.00 0.21 0.00 0.00 66.02 64.80 2jr1 s SER 7 CO 0.25 -0.33 0.31 -1.61 0.41 0.00 0.00 173.24 172.26 2jr1 s GLU 8 N 1.20 2.32 -0.07 12.44 2.02 -1.25 -3.44 118.70 131.91 2jr1 s GLU 8 Ca 0.04 -1.86 -0.04 0.00 0.02 0.00 0.00 54.97 53.13 2jr1 s GLU 8 Cb -0.19 -3.79 -0.04 0.00 0.10 0.00 0.00 34.13 30.21 2jr1 s GLU 8 CO -0.11 -1.15 0.11 0.42 0.02 0.00 0.00 175.26 174.56 2jr1 s ILE 9 N 1.14 5.16 0.83 -1.63 1.09 -0.24 -4.99 121.20 122.55 2jr1 s ILE 9 Ca 0.08 -0.05 -0.11 0.00 -1.10 0.00 0.00 60.65 59.47 2jr1 s ILE 9 Cb -0.24 -3.29 0.09 0.00 -1.06 0.00 0.00 42.46 37.96 2jr1 s ILE 9 CO -0.02 0.51 1.10 -0.89 -0.10 0.00 0.00 174.94 175.54 2jr1 s THR 10 N -1.09 2.97 0.19 2.92 2.01 -1.26 -3.31 115.64 118.06 2jr1 s THR 10 Ca 0.19 0.31 -0.32 0.00 0.31 0.00 0.00 61.69 62.18 2jr1 s THR 10 Cb -0.12 -2.71 -0.11 0.00 0.01 0.00 0.00 72.50 69.57 2jr1 s THR 10 CO 0.08 -0.41 1.63 0.00 -0.69 0.00 0.00 174.62 175.24 2jr1 s ALA 11 N -2.86 3.85 0.09 7.40 0.00 -1.15 -4.82 121.76 124.27 2jr1 s ALA 11 Ca 0.63 1.48 0.03 0.00 0.00 0.00 0.00 51.96 54.09 2jr1 s ALA 11 Cb -0.18 -3.65 -0.04 0.00 0.00 0.00 0.00 23.12 19.24 2jr1 s ALA 11 CO 0.57 -0.85 0.10 -0.51 0.00 0.00 0.00 175.76 175.07 2jr1 s LEU 12 N 1.03 3.86 0.50 0.00 1.43 -1.26 -4.94 118.68 119.31 2jr1 s LEU 12 Ca 0.71 0.01 -0.23 0.00 -1.03 0.00 0.00 54.13 53.59 2jr1 s LEU 12 Cb -0.47 -2.53 -0.06 0.00 0.03 0.00 0.00 46.19 43.16 2jr1 s LEU 12 CO 0.33 0.16 1.40 0.68 0.23 0.00 0.00 176.35 179.15 2jr1 s VAL 13 N -1.44 2.02 0.41 -1.59 -7.23 -1.26 -4.53 120.40 106.77 2jr1 s VAL 13 Ca 0.30 0.02 -0.24 0.00 -1.81 0.00 0.00 61.98 60.24 2jr1 s VAL 13 Cb -0.12 -3.01 -0.08 0.00 0.56 0.00 0.00 36.38 33.73 2jr1 s VAL 13 CO 0.23 0.00 1.11 -0.75 -0.31 0.00 0.00 175.10 175.38 2jr1 s LYS 14 N -2.70 4.06 -0.15 4.82 2.20 -0.94 -4.96 119.74 122.07 2jr1 s LYS 14 Ca 0.67 1.68 -0.29 0.00 -0.36 0.00 0.00 55.97 57.67 2jr1 s LYS 14 Cb -0.43 -2.58 -0.03 0.00 -1.51 0.00 0.00 37.83 33.28 2jr1 s LYS 14 CO 0.53 -0.27 1.58 -1.21 -0.36 0.00 0.00 175.35 175.61 2jr1 s GLU 15 N -2.43 4.00 -0.02 4.03 8.01 -1.26 -4.35 118.70 126.67 2jr1 s GLU 15 Ca 0.58 1.85 -0.00 0.00 0.01 0.00 0.00 54.97 57.41 2jr1 s GLU 15 Cb -0.27 -3.98 0.02 0.00 -4.31 0.00 0.00 34.13 25.60 2jr1 s GLU 15 CO 0.33 -1.05 0.02 0.08 0.01 0.00 0.00 175.26 174.66 2jr1 s VAL 16 N 4.54 -0.05 -0.01 2.63 1.01 -1.26 -5.06 120.40 122.20 2jr1 s VAL 16 Ca 0.70 0.17 -0.22 0.00 0.00 0.00 0.00 61.98 62.62 2jr1 s VAL 16 Cb -0.27 -0.06 -0.14 0.00 0.00 0.00 0.00 36.38 35.90 2jr1 s VAL 16 CO 0.27 0.07 1.00 0.74 0.00 0.00 0.00 175.10 177.18 2jr1 h THR 17 N 6.02 0.44 -4.13 3.92 2.02 -1.95 -3.46 112.91 115.77 2jr1 h THR 17 Ca -0.41 -0.65 -0.49 0.00 0.77 0.00 0.00 66.41 65.63 2jr1 h THR 17 Cb 1.14 0.68 0.14 0.00 -1.74 0.00 0.00 68.15 68.37 2jr1 h THR 17 CO 0.49 0.09 0.27 -2.16 0.37 0.00 0.00 175.52 174.57 2jr1 s PRO 18 N -4.10 1.49 -1.25 6.66 0.04 -1.26 -4.92 135.00 131.66 2jr1 s PRO 18 Ca -0.12 0.89 -0.18 0.00 0.04 0.00 0.00 61.00 61.62 2jr1 s PRO 18 Cb 0.01 -1.83 -0.00 0.00 0.04 0.00 0.00 34.50 32.72 2jr1 s PRO 18 CO 0.44 -2.10 1.95 -0.35 0.04 0.00 0.00 177.00 176.98 2jr1 n PRO 19 N -3.80 2.56 -3.42 0.56 -0.04 -1.26 -4.80 135.00 124.80 2jr1 n PRO 19 Ca 0.07 -2.72 -0.08 0.00 -0.04 0.00 0.00 63.50 60.74 2jr1 n PRO 19 Cb 0.55 -3.39 -0.08 0.00 -0.04 0.00 0.00 33.50 30.54 2jr1 n PRO 19 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 2jr1 s ARG 20 N 4.43 0.36 -0.25 0.54 3.52 -1.26 -5.15 118.95 121.13 2jr1 s ARG 20 Ca 0.55 0.72 -0.08 0.00 -0.13 0.00 0.00 55.73 56.78 2jr1 s ARG 20 Cb 0.08 -0.16 -0.04 0.00 -1.56 0.00 0.00 34.95 33.27 2jr1 s ARG 20 CO 0.05 -0.53 0.11 0.15 -0.81 0.00 0.00 175.30 174.26 2jr1 s LYS 21 N 2.59 3.76 0.10 5.12 1.02 -1.26 -4.75 119.74 126.33 2jr1 s LYS 21 Ca 0.09 -0.42 -0.25 0.00 0.02 0.00 0.00 55.97 55.41 2jr1 s LYS 21 Cb -0.14 -3.42 -0.07 0.00 -0.52 0.00 0.00 37.83 33.68 2jr1 s LYS 21 CO -0.15 -0.16 0.76 0.00 -0.92 0.00 0.00 175.35 174.88 2jr1 s ALA 22 N 1.58 3.42 -1.36 5.17 0.00 -1.26 -4.92 121.76 124.39 2jr1 s ALA 22 Ca 0.06 0.31 -0.16 0.00 0.00 0.00 0.00 51.96 52.17 2jr1 s ALA 22 Cb -0.15 -2.96 0.05 0.00 0.00 0.00 0.00 23.12 20.05 2jr1 s ALA 22 CO 0.06 0.19 1.97 -0.35 0.00 0.00 0.00 175.76 177.62 2jr1 n PRO 23 N 2.20 2.98 -2.53 0.00 -0.04 -1.26 -2.21 135.00 134.13 2jr1 n PRO 23 Ca -0.04 -2.93 -0.41 0.00 -0.04 0.00 0.00 63.50 60.08 2jr1 n PRO 23 Cb 0.49 -3.40 -0.04 0.00 -0.04 0.00 0.00 33.50 30.51 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 3.83 7.31 -0.92 3.54 1.04 -1.26 -4.99 113.70 122.26 2jr1 s SER 24 Ca 0.51 2.15 -0.24 0.00 0.48 0.00 0.00 55.95 58.85 2jr1 s SER 24 Cb 0.09 -2.61 0.02 0.00 0.10 0.00 0.00 66.02 63.61 2jr1 s SER 24 CO 0.01 -0.14 1.59 -0.54 0.98 0.00 0.00 173.24 175.14 2jr1 s LYS 25 N -0.91 3.18 -0.15 4.02 3.01 -1.23 -4.68 119.74 122.99 2jr1 s LYS 25 Ca 0.46 -0.63 -0.04 0.00 -1.01 0.00 0.00 55.97 54.75 2jr1 s LYS 25 Cb -0.30 -5.03 -0.03 0.00 -1.01 0.00 0.00 37.83 31.45 2jr1 s LYS 25 CO 0.37 -2.56 0.00 0.00 0.51 0.00 0.00 175.35 173.68 2jr1 s ALA 26 N 6.79 3.20 -0.11 5.17 0.00 -1.26 -2.16 121.76 133.40 2jr1 s ALA 26 Ca 0.53 -0.79 -0.05 0.00 0.00 0.00 0.00 51.96 51.65 2jr1 s ALA 26 Cb -0.04 -1.65 0.05 0.00 0.00 0.00 0.00 23.12 21.48 2jr1 s ALA 26 CO -0.01 0.30 0.24 0.15 0.00 0.00 0.00 175.76 176.44 2jr1 s LYS 27 N 0.05 0.18 -0.28 0.00 3.01 -0.88 -2.95 119.74 118.87 2jr1 s LYS 27 Ca 0.02 0.57 0.01 0.00 -1.01 0.00 0.00 55.97 55.57 2jr1 s LYS 27 Cb -0.13 -0.11 0.08 0.00 -1.01 0.00 0.00 37.83 36.66 2jr1 s LYS 27 CO 0.02 -0.19 0.02 1.03 0.51 0.00 0.00 175.35 176.73 2jr1 s ARG 28 N 1.53 1.35 0.01 1.68 0.52 -1.21 -1.10 118.95 121.73 2jr1 s ARG 28 Ca -0.07 -1.27 0.01 0.00 -0.52 0.00 0.00 55.73 53.89 2jr1 s ARG 28 Cb -0.11 -2.61 -0.01 0.00 0.52 0.00 0.00 34.95 32.74 2jr1 s ARG 28 CO -0.08 -0.80 -0.04 -1.21 0.02 0.00 0.00 175.30 173.19 2jr1 s GLU 29 N 1.31 0.32 -0.46 3.54 8.01 -1.18 -1.08 118.70 129.16 2jr1 s GLU 29 Ca 0.03 -0.34 -0.17 0.00 0.01 0.00 0.00 54.97 54.50 2jr1 s GLU 29 Cb -0.18 -0.19 0.04 0.00 -4.31 0.00 0.00 34.13 29.49 2jr1 s GLU 29 CO -0.12 0.04 0.46 0.00 0.01 0.00 0.00 175.26 175.66 2jr1 s ALA 30 N -0.60 3.46 0.00 5.21 0.00 -1.22 -1.58 121.76 127.02 2jr1 s ALA 30 Ca -0.04 -1.75 0.00 0.00 0.00 0.00 0.00 51.96 50.16 2jr1 s ALA 30 Cb -0.05 -3.12 0.00 0.00 0.00 0.00 0.00 23.12 19.95 2jr1 s ALA 30 CO -0.00 -1.73 0.00 -0.35 0.00 0.00 0.00 175.76 173.68 2jr1 n PRO 31 N 5.61 0.00 -4.02 0.00 -0.04 -1.26 -4.79 135.00 130.50 2jr1 n PRO 31 Ca -0.09 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.20 2jr1 n PRO 31 Cb 0.46 -0.09 -0.16 0.00 -0.04 0.00 0.00 33.50 33.67 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 0.00 0.30 -0.79 0.52 -4.36 -1.26 -4.69 121.20 110.92 2jr1 s ILE 32 Ca 0.00 -0.00 0.26 0.00 -0.26 0.00 0.00 60.65 60.65 2jr1 s ILE 32 Cb 0.00 -0.36 0.27 0.00 1.25 0.00 0.00 42.46 43.62 2jr1 s ILE 32 CO 0.00 0.16 1.80 1.17 0.24 0.00 0.00 174.94 178.31 2jr1 n LYS 33 N 3.98 0.18 -0.05 0.37 3.00 -1.26 -2.66 118.16 121.72 2jr1 n LYS 33 Ca -0.25 0.18 -0.12 0.00 -0.00 0.00 0.00 58.31 58.12 2jr1 n LYS 33 Cb 0.51 -1.72 -0.06 0.00 0.00 0.00 0.00 35.03 33.75 2jr1 n LYS 33 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.40 176.48 2jr1 h TYR 34 N 0.00 0.32 0.01 5.64 3.20 -2.00 -3.37 116.97 120.76 2jr1 h TYR 34 Ca 0.00 -0.07 -0.04 0.00 3.14 0.00 0.00 58.73 61.76 2jr1 h TYR 34 Cb 0.63 -0.08 -0.00 0.00 1.54 0.00 0.00 36.73 38.82 2jr1 h TYR 34 CO 0.00 0.57 -0.20 -1.49 -1.64 0.00 0.00 178.16 175.39 2jr1 h TRP 35 N -0.01 0.02 -3.24 -3.82 4.06 -2.02 -3.47 115.95 107.45 2jr1 h TRP 35 Ca 0.04 -0.01 -0.63 0.00 2.06 0.00 0.00 58.89 60.34 2jr1 h TRP 35 Cb 0.46 -0.00 -0.16 0.00 -1.00 0.00 0.00 29.16 28.46 2jr1 h TRP 35 CO 0.05 1.08 -0.58 -0.51 -3.56 0.00 0.00 178.44 174.92 2jr1 s LEU 36 N -8.16 3.74 0.21 -4.49 1.43 -1.09 -5.03 118.68 105.29 2jr1 s LEU 36 Ca -0.20 0.09 0.21 0.00 -1.03 0.00 0.00 54.13 53.20 2jr1 s LEU 36 Cb -0.02 -1.92 0.90 0.00 0.03 0.00 0.00 46.19 45.18 2jr1 s LEU 36 CO 0.68 0.22 1.65 -0.81 0.23 0.00 0.00 176.35 178.32 2jr1 n PRO 37 N 3.19 0.15 -3.93 1.29 -0.04 -1.26 -4.25 135.00 130.16 2jr1 n PRO 37 Ca -0.17 0.40 -0.31 0.00 -0.04 0.00 0.00 63.50 63.39 2jr1 n PRO 37 Cb 0.53 -1.80 -0.15 0.00 -0.04 0.00 0.00 33.50 32.04 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 -3.26 2.75 -0.86 0.54 2.46 -1.26 -5.06 115.29 110.61 2jr1 s HIS 38 Ca 0.04 -2.22 -0.23 0.00 0.47 0.00 0.00 55.06 53.12 2jr1 s HIS 38 Cb 0.09 -2.10 0.06 0.00 -0.13 0.00 0.00 32.58 30.51 2jr1 s HIS 38 CO 0.35 -0.87 1.25 -1.54 -2.47 0.00 0.00 174.74 171.46 2jr1 s SER 39 N 1.26 6.37 0.00 9.88 1.04 -1.26 -4.63 113.70 126.35 2jr1 s SER 39 Ca 0.03 -1.19 0.00 0.00 0.48 0.00 0.00 55.95 55.28 2jr1 s SER 39 Cb -0.19 -2.51 0.00 0.00 0.10 0.00 0.00 66.02 63.43 2jr1 s SER 39 CO -0.11 -1.51 0.00 0.61 0.98 0.00 0.00 173.24 173.21 2jr1 n GLY 40 N 5.91 -0.57 3.21 7.32 0.00 -1.22 -4.60 105.19 115.25 2jr1 n GLY 40 Ca 0.16 0.29 -0.34 0.00 0.00 0.00 0.00 46.02 46.13 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 2.62 -0.18 4.61 0.00 -0.61 -4.84 121.76 123.36 2jr1 s ALA 41 Ca 0.00 -1.28 -0.29 0.00 0.00 0.00 0.00 51.96 50.38 2jr1 s ALA 41 Cb 0.00 -1.53 -0.01 0.00 0.00 0.00 0.00 23.12 21.58 2jr1 s ALA 41 CO 0.00 -0.53 1.18 -0.08 0.00 0.00 0.00 175.76 176.33 2jr1 s THR 42 N 1.37 4.42 -0.36 0.00 -1.32 -1.26 -3.10 115.64 115.38 2jr1 s THR 42 Ca 0.04 1.72 -0.03 0.00 -1.21 0.00 0.00 61.69 62.21 2jr1 s THR 42 Cb -0.15 -4.11 0.08 0.00 -1.51 0.00 0.00 72.50 66.82 2jr1 s THR 42 CO -0.07 -0.14 0.12 0.86 -2.21 0.00 0.00 174.62 173.19 2jr1 s TRP 43 N 3.28 3.45 -0.82 9.09 -0.11 -0.26 -4.99 118.94 128.58 2jr1 s TRP 43 Ca 0.51 -2.15 -0.17 0.00 1.22 0.00 0.00 56.10 55.51 2jr1 s TRP 43 Cb -0.20 -2.75 0.15 0.00 -1.50 0.00 0.00 33.47 29.17 2jr1 s TRP 43 CO 0.12 -0.89 0.91 -1.54 -4.62 0.00 0.00 176.95 170.93 2jr1 s SER 44 N 1.57 6.57 0.00 5.86 1.04 -1.26 -2.07 113.70 125.42 2jr1 s SER 44 Ca 0.03 -2.12 0.00 0.00 0.48 0.00 0.00 55.95 54.34 2jr1 s SER 44 Cb -0.21 -2.31 0.00 0.00 0.10 0.00 0.00 66.02 63.59 2jr1 s SER 44 CO -0.03 -0.91 0.00 0.61 0.98 0.00 0.00 173.24 173.89 2jr1 n GLY 45 N 4.92 -1.41 3.81 7.32 0.00 -0.92 -4.93 105.19 113.98 2jr1 n GLY 45 Ca 0.13 0.47 -0.33 0.00 0.00 0.00 0.00 46.02 46.29 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 4.05 -1.01 1.61 3.00 -1.26 -3.50 118.95 121.84 2jr1 s ARG 46 Ca 0.00 1.22 -0.23 0.00 -1.00 0.00 0.00 55.73 55.72 2jr1 s ARG 46 Cb 0.00 -2.14 -0.13 0.00 0.00 0.00 0.00 34.95 32.67 2jr1 s ARG 46 CO 0.00 -0.20 1.93 0.41 0.00 0.00 0.00 175.30 177.44 2jr1 n GLY 47 N -0.48 1.31 3.56 8.12 0.00 -1.26 -4.75 105.19 111.69 2jr1 n GLY 47 Ca 0.08 -0.80 -0.43 0.00 0.00 0.00 0.00 46.02 44.87 2jr1 n GLY 47 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2jr1 s LYS 48 N 6.23 3.54 -0.18 1.61 2.36 -1.26 -5.03 119.74 127.00 2jr1 s LYS 48 Ca 0.66 0.08 -0.01 0.00 -2.55 0.00 0.00 55.97 54.15 2jr1 s LYS 48 Cb 0.04 -3.90 0.05 0.00 -1.05 0.00 0.00 37.83 32.97 2jr1 s LYS 48 CO 0.15 -1.06 -0.03 0.42 1.55 0.00 0.00 175.35 176.38 2jr1 s ILE 49 N 3.33 1.05 -0.00 5.43 1.09 -1.26 -4.69 121.20 126.14 2jr1 s ILE 49 Ca 0.32 -0.72 -0.00 0.00 -1.10 0.00 0.00 60.65 59.15 2jr1 s ILE 49 Cb -0.12 -1.32 0.00 0.00 -1.06 0.00 0.00 42.46 39.96 2jr1 s ILE 49 CO 0.22 0.01 1.93 -0.81 -0.10 0.00 0.00 174.94 176.18 2jr1 n PRO 50 N 4.88 1.01 0.01 2.79 -0.04 -1.26 -4.44 135.00 137.94 2jr1 n PRO 50 Ca -0.11 -0.01 -0.13 0.00 -0.04 0.00 0.00 63.50 63.21 2jr1 n PRO 50 Cb 0.47 -1.00 -0.10 0.00 -0.04 0.00 0.00 33.50 32.83 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 0.93 -0.06 -0.20 0.54 6.56 -1.97 -0.49 116.57 121.88 2jr1 h LYS 51 Ca 0.00 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.59 2jr1 h LYS 51 Cb 1.00 0.01 -0.01 0.00 -0.57 0.00 0.00 32.23 32.66 2jr1 h LYS 51 CO 0.01 0.41 0.08 -1.00 -2.06 0.00 0.00 179.45 176.89 2jr1 h PRO 52 N -0.55 0.27 0.51 3.15 0.13 -1.97 -0.19 132.00 133.35 2jr1 h PRO 52 Ca -0.01 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 65.07 2jr1 h PRO 52 Cb 0.50 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.57 2jr1 h PRO 52 CO 0.01 0.23 -0.24 0.35 -0.23 0.00 0.00 178.00 178.12 2jr1 h PHE 53 N 0.28 -0.63 0.00 1.56 3.57 -1.89 -2.88 116.94 116.95 2jr1 h PHE 53 Ca 0.07 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.55 2jr1 h PHE 53 Cb 0.05 0.21 -0.00 0.00 2.79 0.00 0.00 35.95 39.00 2jr1 h PHE 53 CO 0.00 -0.39 -0.02 1.49 -2.23 0.00 0.00 178.31 177.16 2jr1 h GLU 54 N -1.01 0.00 0.19 1.11 4.81 -1.09 0.19 114.58 118.79 2jr1 h GLU 54 Ca -0.07 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.15 2jr1 h GLU 54 Cb 0.52 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.90 2jr1 h GLU 54 CO 0.11 0.02 -0.09 0.00 -0.73 0.00 0.00 179.01 178.32 2jr1 h ALA 55 N 1.98 -0.26 -0.83 2.92 0.00 -1.15 -2.57 119.26 119.35 2jr1 h ALA 55 Ca -0.00 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 2jr1 h ALA 55 Cb 0.07 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 2jr1 h ALA 55 CO 0.00 -0.41 0.37 2.35 0.00 0.00 0.00 179.25 181.56 2jr1 h TRP 56 N -0.73 1.23 0.00 0.00 7.01 -1.26 0.61 115.95 122.81 2jr1 h TRP 56 Ca -0.03 -0.07 0.00 0.00 2.11 0.00 0.00 58.89 60.90 2jr1 h TRP 56 Cb 0.50 -0.38 0.00 0.00 -2.10 0.00 0.00 29.16 27.19 2jr1 h TRP 56 CO 0.06 0.90 0.00 -0.89 -2.79 0.00 0.00 178.44 175.72 2jr1 n ILE 57 N -4.29 0.94 0.02 2.65 2.08 0.03 -3.01 119.36 117.78 2jr1 n ILE 57 Ca 0.08 0.24 0.02 0.00 0.56 0.00 0.00 62.75 63.65 2jr1 n ILE 57 Cb 0.16 -1.19 -0.03 0.00 -0.75 0.00 0.00 39.64 37.82 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 -1.05 -0.13 0.23 7.39 0.00 -0.58 -3.49 105.19 107.57 2jr1 n GLY 58 Ca 0.01 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 0.49 0.00 2.61 2.02 -0.83 -3.26 112.91 113.94 2jr1 h THR 59 Ca 0.00 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.15 2jr1 h THR 59 Cb 0.20 0.38 0.00 0.00 -1.74 0.00 0.00 68.15 66.99 2jr1 h THR 59 CO 0.00 0.02 -0.84 0.00 0.37 0.00 0.00 175.52 175.07 2jr1 n ALA 60 N -2.81 1.91 0.29 6.16 0.00 -1.26 -4.88 120.51 119.90 2jr1 n ALA 60 Ca 0.08 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.67 2jr1 n ALA 60 Cb 0.34 0.30 0.86 0.00 0.00 0.00 0.00 19.45 20.95 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 1.34 -0.84 0.00 0.00 -1.76 -3.27 119.26 114.74 2jr1 h ALA 61 Ca 0.00 -0.05 0.21 0.00 0.00 0.00 0.00 54.91 55.08 2jr1 h ALA 61 Cb 0.84 -0.01 -0.14 0.00 0.00 0.00 0.00 17.79 18.48 2jr1 h ALA 61 CO 0.00 0.07 0.19 -0.92 0.00 0.00 0.00 179.25 178.58 2jr1 h TYR 62 N 0.00 0.27 -0.95 0.00 3.20 -1.60 0.88 116.97 118.77 2jr1 h TYR 62 Ca -0.00 0.05 0.02 0.00 3.14 0.00 0.00 58.73 61.94 2jr1 h TYR 62 Cb 0.16 0.02 -0.05 0.00 1.54 0.00 0.00 36.73 38.40 2jr1 h TYR 62 CO 0.00 -0.20 0.63 0.00 -1.64 0.00 0.00 178.16 176.95 2jr1 h THR 63 N 0.20 1.21 -0.05 1.81 1.03 -1.87 0.51 112.91 115.76 2jr1 h THR 63 Ca 0.51 -0.43 -0.21 0.00 -0.01 0.00 0.00 66.41 66.27 2jr1 h THR 63 Cb 0.99 -0.15 0.01 0.00 -1.07 0.00 0.00 68.15 67.93 2jr1 h THR 63 CO -0.64 0.23 -0.77 0.00 -0.01 0.00 0.00 175.52 174.32 2jr1 h ALA 64 N 1.36 0.16 -0.75 0.00 0.00 -1.64 -3.00 119.26 115.39 2jr1 h ALA 64 Ca 0.36 -0.61 0.09 0.00 0.00 0.00 0.00 54.91 54.75 2jr1 h ALA 64 Cb -0.09 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.65 2jr1 h ALA 64 CO -0.09 0.54 0.41 2.35 0.00 0.00 0.00 179.25 182.46 2jr1 h TRP 65 N 0.25 0.74 -0.71 0.00 7.01 -0.77 -2.26 115.95 120.21 2jr1 h TRP 65 Ca -0.08 0.03 -0.05 0.00 2.11 0.00 0.00 58.89 60.90 2jr1 h TRP 65 Cb 1.44 -0.22 -0.03 0.00 -2.10 0.00 0.00 29.16 28.24 2jr1 h TRP 65 CO 0.11 0.30 0.24 0.87 -2.79 0.00 0.00 178.44 177.18 2jr1 h LYS 66 N 0.70 1.07 -0.88 2.65 1.79 -1.00 -0.46 116.57 120.45 2jr1 h LYS 66 Ca 0.36 -0.21 0.01 0.00 -2.18 0.00 0.00 60.65 58.63 2jr1 h LYS 66 Cb 0.33 -0.17 -0.04 0.00 -1.58 0.00 0.00 32.23 30.77 2jr1 h LYS 66 CO -0.24 0.90 0.58 0.00 -1.08 0.00 0.00 179.45 179.61 2jr1 h ALA 67 N 1.22 1.38 0.00 3.86 0.00 -1.37 -3.30 119.26 121.05 2jr1 h ALA 67 Ca 0.23 -0.06 -0.20 0.00 0.00 0.00 0.00 54.91 54.89 2jr1 h ALA 67 Cb 0.26 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 2jr1 h ALA 67 CO -0.01 0.58 -0.98 0.87 0.00 0.00 0.00 179.25 179.70 2jr1 h LYS 68 N 1.18 0.00 -3.27 0.00 1.57 -1.26 -3.49 116.57 111.31 2jr1 h LYS 68 Ca 0.32 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.97 2jr1 h LYS 68 Cb -0.13 0.00 -0.20 0.00 0.08 0.00 0.00 32.23 31.98 2jr1 h LYS 68 CO -0.07 0.83 -0.37 -1.01 -0.57 0.00 0.00 179.45 178.26 2jr1 s HIS 69 N -2.76 -0.07 0.00 -1.35 3.76 -0.19 -5.10 115.29 109.57 2jr1 s HIS 69 Ca 0.01 0.06 0.00 0.00 -0.15 0.00 0.00 55.06 54.98 2jr1 s HIS 69 Cb 0.09 0.03 0.00 0.00 1.11 0.00 0.00 32.58 33.81 2jr1 s HIS 69 CO 0.81 -0.36 0.07 -0.35 -0.85 0.00 0.00 174.74 174.06 2jr1 n PRO 70 N 1.28 0.00 -3.17 8.40 -0.04 -1.26 -4.12 135.00 136.09 2jr1 n PRO 70 Ca -0.22 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.02 2jr1 n PRO 70 Cb 0.56 -0.40 -0.05 0.00 -0.04 0.00 0.00 33.50 33.57 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 -0.14 1.54 -0.02 3.54 2.03 -1.26 -4.81 116.55 117.43 2jr1 n ASP 71 Ca 0.00 -3.08 -0.21 0.00 0.52 0.00 0.00 54.79 52.02 2jr1 n ASP 71 Cb 0.00 -0.62 -0.13 0.00 -0.72 0.00 0.00 41.12 39.65 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 3.37 0.19 -6.87 -0.67 4.57 -1.95 -3.47 114.58 109.74 2jr1 h GLU 72 Ca 0.11 -0.33 -0.50 0.00 -1.18 0.00 0.00 59.36 57.46 2jr1 h GLU 72 Cb 0.84 0.12 0.03 0.00 -0.16 0.00 0.00 28.75 29.58 2jr1 h GLU 72 CO 0.57 1.16 0.47 0.21 -1.18 0.00 0.00 179.01 180.24 2jr1 s LYS 73 N -2.47 4.40 0.06 1.92 2.36 -1.26 -4.34 119.74 120.41 2jr1 s LYS 73 Ca -0.22 1.76 -0.31 0.00 -2.55 0.00 0.00 55.97 54.65 2jr1 s LYS 73 Cb 0.05 -2.93 -0.06 0.00 -1.05 0.00 0.00 37.83 33.84 2jr1 s LYS 73 CO 0.73 0.01 1.28 0.12 1.55 0.00 0.00 175.35 179.04 2jr1 s PHE 74 N -1.33 3.28 -1.24 4.03 5.36 -1.26 -4.93 117.98 121.90 2jr1 s PHE 74 Ca 0.50 1.12 -0.19 0.00 -0.96 0.00 0.00 56.93 57.41 2jr1 s PHE 74 Cb -0.30 -3.53 -0.00 0.00 -0.34 0.00 0.00 43.02 38.85 2jr1 s PHE 74 CO 0.38 -1.78 1.91 -0.35 -1.46 0.00 0.00 175.22 173.92 2jr1 n PRO 75 N 4.21 2.53 -3.64 10.12 -0.04 -1.26 -4.92 135.00 142.00 2jr1 n PRO 75 Ca 0.10 -2.76 -0.37 0.00 -0.04 0.00 0.00 63.50 60.44 2jr1 n PRO 75 Cb 0.45 -3.44 -0.07 0.00 -0.04 0.00 0.00 33.50 30.40 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 5.74 3.69 0.33 0.55 0.00 -1.26 -5.12 121.76 125.69 2jr1 s ALA 76 Ca 0.56 -0.49 0.02 0.00 0.00 0.00 0.00 51.96 52.05 2jr1 s ALA 76 Cb 0.06 -2.26 -0.03 0.00 0.00 0.00 0.00 23.12 20.89 2jr1 s ALA 76 CO 0.06 0.29 0.51 -0.59 0.00 0.00 0.00 175.76 176.03 2jr1 s PHE 77 N -0.15 3.45 -0.72 0.00 -0.71 -1.26 -4.36 117.98 114.22 2jr1 s PHE 77 Ca 0.16 0.23 -0.27 0.00 -1.04 0.00 0.00 56.93 56.01 2jr1 s PHE 77 Cb -0.13 -1.86 0.02 0.00 -1.21 0.00 0.00 43.02 39.84 2jr1 s PHE 77 CO 0.05 0.15 1.43 -1.25 -1.34 0.00 0.00 175.22 174.26 2jr1 s PRO 78 N -4.25 3.06 0.00 1.99 0.04 -1.26 -4.76 135.00 129.82 2jr1 s PRO 78 Ca 0.39 -0.07 0.00 0.00 0.04 0.00 0.00 61.00 61.36 2jr1 s PRO 78 Cb -0.09 -4.28 0.00 0.00 0.04 0.00 0.00 34.50 30.17 2jr1 s PRO 78 CO 0.34 -2.30 0.33 0.41 0.04 0.00 0.00 177.00 175.82