#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 1.06 -2.24 4.37 -1.24 -2.06 -3.41 115.58 112.06 2jr1 h ASN 2 Ca 0.00 -0.19 -0.55 0.00 0.71 0.00 0.00 56.30 56.27 2jr1 h ASN 2 Cb 0.00 -0.28 -0.02 0.00 0.73 0.00 0.00 38.32 38.76 2jr1 h ASN 2 CO 0.00 0.97 1.39 0.54 -1.29 0.00 0.00 177.43 179.04 2jr1 s VAL 3 N -5.43 3.29 -0.17 2.57 0.11 -1.26 -4.96 120.40 114.55 2jr1 s VAL 3 Ca -0.12 0.26 -0.05 0.00 -2.93 0.00 0.00 61.98 59.14 2jr1 s VAL 3 Cb 0.15 -3.47 0.08 0.00 -1.53 0.00 0.00 36.38 31.61 2jr1 s VAL 3 CO 0.84 -0.36 0.32 -0.75 -3.33 0.00 0.00 175.10 171.82 2jr1 s LYS 4 N 6.44 0.22 0.91 1.54 2.47 -1.26 -5.15 119.74 124.91 2jr1 s LYS 4 Ca 0.84 0.78 -0.11 0.00 -1.56 0.00 0.00 55.97 55.92 2jr1 s LYS 4 Cb -0.22 -0.05 0.12 0.00 -1.46 0.00 0.00 37.83 36.22 2jr1 s LYS 4 CO 0.30 -0.34 0.98 1.04 0.16 0.00 0.00 175.35 177.50 2jr1 n GLN 5 N 5.36 -0.36 -1.86 4.03 1.13 -1.26 -4.93 117.38 119.49 2jr1 n GLN 5 Ca -0.07 -0.04 -0.31 0.00 -1.94 0.00 0.00 57.00 54.64 2jr1 n GLN 5 Cb 0.50 -2.26 0.02 0.00 0.11 0.00 0.00 30.24 28.60 2jr1 n GLN 5 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 2jr1 s LYS 6 N -4.34 3.40 -0.13 -1.09 -0.14 -1.25 -5.04 119.74 111.15 2jr1 s LYS 6 Ca 0.65 0.89 -0.04 0.00 -1.36 0.00 0.00 55.97 56.12 2jr1 s LYS 6 Cb -0.23 -2.05 0.05 0.00 -1.68 0.00 0.00 37.83 33.92 2jr1 s LYS 6 CO 0.59 -0.73 0.10 -1.12 -0.76 0.00 0.00 175.35 173.43 2jr1 s SER 7 N -3.75 1.74 -0.41 2.83 0.01 -1.26 -4.99 113.70 107.86 2jr1 s SER 7 Ca 0.57 -0.28 -0.03 0.00 1.31 0.00 0.00 55.95 57.53 2jr1 s SER 7 Cb -0.12 -0.10 0.11 0.00 0.21 0.00 0.00 66.02 66.12 2jr1 s SER 7 CO 0.49 -0.31 0.21 -1.61 0.41 0.00 0.00 173.24 172.44 2jr1 s GLU 8 N 2.18 2.02 -0.02 12.44 2.02 -1.25 -3.21 118.70 132.88 2jr1 s GLU 8 Ca 0.03 -1.83 0.05 0.00 0.02 0.00 0.00 54.97 53.25 2jr1 s GLU 8 Cb -0.14 -3.59 -0.03 0.00 0.10 0.00 0.00 34.13 30.47 2jr1 s GLU 8 CO -0.07 -1.08 -0.18 0.42 0.02 0.00 0.00 175.26 174.38 2jr1 s ILE 9 N 1.13 2.80 0.73 -1.63 1.01 -0.36 -5.02 121.20 119.86 2jr1 s ILE 9 Ca 0.08 -0.93 -0.14 0.00 0.00 0.00 0.00 60.65 59.66 2jr1 s ILE 9 Cb -0.23 -2.10 0.04 0.00 0.01 0.00 0.00 42.46 40.18 2jr1 s ILE 9 CO -0.04 0.51 1.15 -0.89 0.00 0.00 0.00 174.94 175.67 2jr1 s THR 10 N -0.77 2.76 -0.00 2.92 2.01 -1.26 -3.29 115.64 118.01 2jr1 s THR 10 Ca 0.12 0.33 -0.30 0.00 0.31 0.00 0.00 61.69 62.16 2jr1 s THR 10 Cb -0.10 -2.80 -0.07 0.00 0.01 0.00 0.00 72.50 69.53 2jr1 s THR 10 CO 0.02 -0.24 1.81 0.00 -0.69 0.00 0.00 174.62 175.52 2jr1 s ALA 11 N -2.33 3.61 0.24 7.40 0.00 -1.21 -4.87 121.76 124.60 2jr1 s ALA 11 Ca 0.69 1.15 -0.12 0.00 0.00 0.00 0.00 51.96 53.68 2jr1 s ALA 11 Cb -0.23 -3.79 -0.08 0.00 0.00 0.00 0.00 23.12 19.02 2jr1 s ALA 11 CO 0.47 -1.47 0.60 -1.17 0.00 0.00 0.00 175.76 174.19 2jr1 s LEU 12 N 4.16 4.17 1.07 0.00 1.98 -1.26 -4.90 118.68 123.91 2jr1 s LEU 12 Ca 0.81 1.04 -0.14 0.00 -2.89 0.00 0.00 54.13 52.96 2jr1 s LEU 12 Cb -0.38 -3.71 0.18 0.00 0.66 0.00 0.00 46.19 42.93 2jr1 s LEU 12 CO 0.36 -0.07 0.70 1.33 -1.89 0.00 0.00 176.35 176.78 2jr1 n VAL 13 N -0.02 0.00 -2.27 1.68 0.24 -1.26 -4.38 118.33 112.32 2jr1 n VAL 13 Ca 0.00 -0.28 -0.42 0.00 -2.04 0.00 0.00 64.34 61.61 2jr1 n VAL 13 Cb 0.52 -0.84 -0.03 0.00 -1.47 0.00 0.00 33.84 32.02 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 -4.10 4.36 -0.62 7.34 2.47 -1.00 -4.87 119.74 123.32 2jr1 s LYS 14 Ca 0.63 1.95 -0.27 0.00 -1.56 0.00 0.00 55.97 56.72 2jr1 s LYS 14 Cb -0.21 -3.30 0.01 0.00 -1.46 0.00 0.00 37.83 32.87 2jr1 s LYS 14 CO 0.64 -0.37 1.53 -1.21 0.16 0.00 0.00 175.35 176.11 2jr1 s GLU 15 N 1.12 3.07 -0.09 4.03 8.01 -1.26 -4.54 118.70 129.04 2jr1 s GLU 15 Ca 0.62 0.35 0.04 0.00 0.01 0.00 0.00 54.97 55.99 2jr1 s GLU 15 Cb -0.34 -4.22 0.00 0.00 -4.31 0.00 0.00 34.13 25.26 2jr1 s GLU 15 CO 0.30 -2.24 -0.22 0.08 0.01 0.00 0.00 175.26 173.19 2jr1 s VAL 16 N 6.93 1.88 0.01 2.63 1.01 -1.26 -5.09 120.40 126.51 2jr1 s VAL 16 Ca 0.53 -0.92 -0.25 0.00 0.00 0.00 0.00 61.98 61.34 2jr1 s VAL 16 Cb -0.11 -1.63 -0.17 0.00 0.00 0.00 0.00 36.38 34.47 2jr1 s VAL 16 CO 0.21 0.52 1.29 0.74 0.00 0.00 0.00 175.10 177.86 2jr1 h THR 17 N 5.70 0.80 -4.06 3.92 2.02 -1.94 -3.44 112.91 115.91 2jr1 h THR 17 Ca -0.22 -0.61 -0.48 0.00 0.77 0.00 0.00 66.41 65.87 2jr1 h THR 17 Cb 1.22 1.13 0.15 0.00 -1.74 0.00 0.00 68.15 68.92 2jr1 h THR 17 CO 0.47 0.13 0.25 -2.16 0.37 0.00 0.00 175.52 174.57 2jr1 s PRO 18 N -4.76 1.18 -1.23 6.66 0.04 -1.26 -4.91 135.00 130.71 2jr1 s PRO 18 Ca -0.14 0.76 -0.21 0.00 0.04 0.00 0.00 61.00 61.45 2jr1 s PRO 18 Cb 0.02 -1.80 -0.02 0.00 0.04 0.00 0.00 34.50 32.74 2jr1 s PRO 18 CO 0.57 -2.28 1.86 -0.35 0.04 0.00 0.00 177.00 176.84 2jr1 n PRO 19 N -3.90 2.29 -3.76 0.56 -0.04 -1.26 -4.87 135.00 124.02 2jr1 n PRO 19 Ca 0.07 -2.80 -0.13 0.00 -0.04 0.00 0.00 63.50 60.60 2jr1 n PRO 19 Cb 0.56 -3.61 -0.11 0.00 -0.04 0.00 0.00 33.50 30.29 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 5.45 0.37 -0.22 0.54 6.06 -1.26 -5.16 118.95 124.73 2jr1 s ARG 20 Ca 0.62 0.46 0.01 0.00 -2.50 0.00 0.00 55.73 54.32 2jr1 s ARG 20 Cb 0.02 0.17 0.05 0.00 0.06 0.00 0.00 34.95 35.24 2jr1 s ARG 20 CO 0.11 -0.05 -0.10 0.15 -2.50 0.00 0.00 175.30 172.91 2jr1 s LYS 21 N 0.24 2.03 0.02 5.12 3.01 -1.26 -4.58 119.74 124.32 2jr1 s LYS 21 Ca -0.01 -0.96 -0.12 0.00 -1.01 0.00 0.00 55.97 53.87 2jr1 s LYS 21 Cb -0.03 -2.54 -0.06 0.00 -1.01 0.00 0.00 37.83 34.20 2jr1 s LYS 21 CO -0.00 -0.48 0.39 0.00 0.51 0.00 0.00 175.35 175.77 2jr1 s ALA 22 N 1.34 3.72 -1.41 5.17 0.00 -1.26 -4.98 121.76 124.34 2jr1 s ALA 22 Ca -0.03 -0.32 -0.14 0.00 0.00 0.00 0.00 51.96 51.47 2jr1 s ALA 22 Cb -0.17 -2.31 0.06 0.00 0.00 0.00 0.00 23.12 20.70 2jr1 s ALA 22 CO -0.07 0.53 2.10 -0.35 0.00 0.00 0.00 175.76 177.97 2jr1 n PRO 23 N 1.44 2.98 -2.78 0.00 -0.04 -1.26 -2.38 135.00 132.97 2jr1 n PRO 23 Ca -0.12 -2.81 -0.41 0.00 -0.04 0.00 0.00 63.50 60.12 2jr1 n PRO 23 Cb 0.52 -3.29 -0.04 0.00 -0.04 0.00 0.00 33.50 30.65 2jr1 n PRO 23 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2jr1 s SER 24 N 3.19 7.38 -0.79 3.54 0.15 -1.26 -5.00 113.70 120.91 2jr1 s SER 24 Ca 0.48 1.66 -0.26 0.00 0.70 0.00 0.00 55.95 58.52 2jr1 s SER 24 Cb 0.12 -2.55 0.03 0.00 -1.71 0.00 0.00 66.02 61.91 2jr1 s SER 24 CO -0.05 -0.13 1.31 -0.54 1.20 0.00 0.00 173.24 175.03 2jr1 s LYS 25 N 0.40 3.26 -0.21 5.44 3.01 -1.23 -4.61 119.74 125.79 2jr1 s LYS 25 Ca 0.47 -0.39 -0.09 0.00 -1.01 0.00 0.00 55.97 54.94 2jr1 s LYS 25 Cb -0.22 -4.39 -0.05 0.00 -1.01 0.00 0.00 37.83 32.17 2jr1 s LYS 25 CO 0.27 -2.16 0.12 0.00 0.51 0.00 0.00 175.35 174.09 2jr1 s ALA 26 N 5.61 3.53 -0.14 5.17 0.00 -1.26 -1.54 121.76 133.13 2jr1 s ALA 26 Ca 0.37 -0.82 -0.01 0.00 0.00 0.00 0.00 51.96 51.50 2jr1 s ALA 26 Cb -0.07 -2.14 0.04 0.00 0.00 0.00 0.00 23.12 20.95 2jr1 s ALA 26 CO 0.11 -0.02 -0.01 0.15 0.00 0.00 0.00 175.76 175.99 2jr1 s LYS 27 N 0.72 0.93 -0.48 0.00 3.01 -1.14 -3.31 119.74 119.47 2jr1 s LYS 27 Ca 0.06 -0.24 -0.12 0.00 -1.01 0.00 0.00 55.97 54.65 2jr1 s LYS 27 Cb -0.13 -1.63 0.11 0.00 -1.01 0.00 0.00 37.83 35.17 2jr1 s LYS 27 CO 0.02 -0.43 0.39 1.03 0.51 0.00 0.00 175.35 176.86 2jr1 s ARG 28 N 1.83 2.74 -0.12 1.68 0.52 -1.21 -3.59 118.95 120.80 2jr1 s ARG 28 Ca 0.02 -1.62 -0.05 0.00 -0.52 0.00 0.00 55.73 53.56 2jr1 s ARG 28 Cb -0.14 -4.05 0.06 0.00 0.52 0.00 0.00 34.95 31.34 2jr1 s ARG 28 CO -0.07 -1.17 0.25 -1.21 0.02 0.00 0.00 175.30 173.13 2jr1 s GLU 29 N 1.49 0.14 -0.12 3.54 2.02 -1.22 -1.22 118.70 123.33 2jr1 s GLU 29 Ca 0.04 0.72 -0.24 0.00 0.02 0.00 0.00 54.97 55.51 2jr1 s GLU 29 Cb -0.27 -0.06 -0.03 0.00 0.10 0.00 0.00 34.13 33.88 2jr1 s GLU 29 CO 0.02 -0.28 0.75 0.00 0.02 0.00 0.00 175.26 175.77 2jr1 s ALA 30 N 2.36 3.43 0.00 5.21 0.00 -1.20 -3.85 121.76 127.72 2jr1 s ALA 30 Ca 0.01 0.05 0.00 0.00 0.00 0.00 0.00 51.96 52.02 2jr1 s ALA 30 Cb -0.12 -3.08 0.00 0.00 0.00 0.00 0.00 23.12 19.92 2jr1 s ALA 30 CO -0.08 -0.39 0.00 -0.35 0.00 0.00 0.00 175.76 174.94 2jr1 n PRO 31 N 4.53 0.00 -5.08 0.00 -0.04 -1.26 -4.78 135.00 128.37 2jr1 n PRO 31 Ca 0.01 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.18 2jr1 n PRO 31 Cb 0.50 0.00 -0.16 0.00 -0.04 0.00 0.00 33.50 33.80 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 1.87 1.77 0.27 0.52 -4.36 -1.26 -4.81 121.20 115.20 2jr1 s ILE 32 Ca 0.00 -0.92 0.24 0.00 -0.26 0.00 0.00 60.65 59.71 2jr1 s ILE 32 Cb 0.00 -1.50 0.23 0.00 1.25 0.00 0.00 42.46 42.44 2jr1 s ILE 32 CO 0.00 0.50 1.91 0.11 0.24 0.00 0.00 174.94 177.69 2jr1 h LYS 33 N 6.03 0.00 -0.06 0.37 1.79 -1.94 -2.32 116.57 120.44 2jr1 h LYS 33 Ca -0.34 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.06 2jr1 h LYS 33 Cb 1.17 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.81 2jr1 h LYS 33 CO 0.47 0.22 -0.28 -0.92 -1.08 0.00 0.00 179.45 177.86 2jr1 h TYR 34 N 0.00 0.12 0.03 -1.35 3.20 -1.98 -3.35 116.97 113.64 2jr1 h TYR 34 Ca -0.00 -0.02 -0.38 0.00 3.14 0.00 0.00 58.73 61.46 2jr1 h TYR 34 Cb 0.61 -0.03 -0.05 0.00 1.54 0.00 0.00 36.73 38.79 2jr1 h TYR 34 CO 0.00 0.38 -2.23 1.87 -1.64 0.00 0.00 178.16 176.54 2jr1 n TRP 35 N -4.17 0.41 -4.94 -3.82 -0.00 -1.22 -5.00 117.44 98.70 2jr1 n TRP 35 Ca -0.02 0.12 -0.33 0.00 -0.00 0.00 0.00 57.50 57.28 2jr1 n TRP 35 Cb 0.35 -1.05 -0.15 0.00 -0.00 0.00 0.00 31.31 30.47 2jr1 n TRP 35 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 177.69 177.18 2jr1 s LEU 36 N -7.10 2.54 0.52 5.87 1.43 -0.88 -5.06 118.68 116.00 2jr1 s LEU 36 Ca -0.33 -0.36 0.21 0.00 -1.03 0.00 0.00 54.13 52.63 2jr1 s LEU 36 Cb 0.10 -1.53 1.37 0.00 0.03 0.00 0.00 46.19 46.15 2jr1 s LEU 36 CO 0.60 0.22 2.11 1.55 0.23 0.00 0.00 176.35 181.07 2jr1 h PRO 37 N 6.28 0.00 -4.61 1.29 0.13 -1.85 -3.36 132.00 129.88 2jr1 h PRO 37 Ca -0.31 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 64.15 2jr1 h PRO 37 Cb 1.20 0.00 -0.37 0.00 0.13 0.00 0.00 31.00 31.96 2jr1 h PRO 37 CO 0.52 0.08 -0.64 -1.58 -0.23 0.00 0.00 178.00 176.15 2jr1 s HIS 38 N -4.64 3.62 -0.49 1.56 2.46 -1.26 -4.97 115.29 111.58 2jr1 s HIS 38 Ca -0.04 -2.61 -0.26 0.00 0.47 0.00 0.00 55.06 52.61 2jr1 s HIS 38 Cb 0.15 -2.96 0.03 0.00 -0.13 0.00 0.00 32.58 29.67 2jr1 s HIS 38 CO 0.63 -0.95 1.00 -1.12 -2.47 0.00 0.00 174.74 171.83 2jr1 s SER 39 N 1.37 6.51 0.00 9.88 0.01 -1.26 -4.70 113.70 125.51 2jr1 s SER 39 Ca 0.08 0.14 0.00 0.00 1.31 0.00 0.00 55.95 57.48 2jr1 s SER 39 Cb -0.21 -2.48 0.00 0.00 0.21 0.00 0.00 66.02 63.54 2jr1 s SER 39 CO -0.06 -1.16 0.00 0.61 0.41 0.00 0.00 173.24 173.05 2jr1 n GLY 40 N 4.95 1.36 3.05 3.44 0.00 -1.26 -4.79 105.19 111.94 2jr1 n GLY 40 Ca 0.07 -0.41 -0.24 0.00 0.00 0.00 0.00 46.02 45.44 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 1.20 -0.72 4.61 0.00 -1.25 -4.95 121.76 120.65 2jr1 s ALA 41 Ca 0.00 -0.47 -0.20 0.00 0.00 0.00 0.00 51.96 51.29 2jr1 s ALA 41 Cb 0.00 -0.46 0.10 0.00 0.00 0.00 0.00 23.12 22.76 2jr1 s ALA 41 CO 0.00 0.17 0.92 -0.08 0.00 0.00 0.00 175.76 176.78 2jr1 s THR 42 N 0.31 4.63 -0.48 0.00 -1.32 -1.26 -3.60 115.64 113.92 2jr1 s THR 42 Ca -0.07 -0.97 -0.14 0.00 -1.21 0.00 0.00 61.69 59.30 2jr1 s THR 42 Cb -0.12 -4.64 0.09 0.00 -1.51 0.00 0.00 72.50 66.32 2jr1 s THR 42 CO 0.02 -1.36 0.40 0.86 -2.21 0.00 0.00 174.62 172.33 2jr1 s TRP 43 N 3.12 3.27 -0.50 9.09 -0.11 -1.24 -5.01 118.94 127.57 2jr1 s TRP 43 Ca 0.22 -1.16 -0.15 0.00 1.22 0.00 0.00 56.10 56.22 2jr1 s TRP 43 Cb -0.16 -3.31 0.10 0.00 -1.50 0.00 0.00 33.47 28.60 2jr1 s TRP 43 CO 0.03 -0.87 0.44 0.45 -4.62 0.00 0.00 176.95 172.38 2jr1 s SER 44 N 2.78 6.13 0.00 5.86 0.15 -1.26 -2.89 113.70 124.46 2jr1 s SER 44 Ca 0.04 -1.56 0.00 0.00 0.70 0.00 0.00 55.95 55.12 2jr1 s SER 44 Cb -0.26 -2.18 0.00 0.00 -1.71 0.00 0.00 66.02 61.87 2jr1 s SER 44 CO 0.05 -0.74 0.00 0.61 1.20 0.00 0.00 173.24 174.35 2jr1 n GLY 45 N 5.20 -0.69 3.72 9.45 0.00 -0.59 -4.87 105.19 117.41 2jr1 n GLY 45 Ca -0.13 0.26 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 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 4.60 -0.84 1.61 3.00 -1.26 -3.58 118.95 122.48 2jr1 s ARG 46 Ca 0.00 1.50 -0.25 0.00 -1.00 0.00 0.00 55.73 55.98 2jr1 s ARG 46 Cb 0.00 -3.40 0.01 0.00 0.00 0.00 0.00 34.95 31.56 2jr1 s ARG 46 CO 0.00 0.04 1.56 0.20 0.00 0.00 0.00 175.30 177.10 2jr1 s GLY 47 N 0.53 0.76 -0.62 8.12 0.00 -1.26 -4.79 107.32 110.06 2jr1 s GLY 47 Ca 0.51 -1.56 -0.21 0.00 0.00 0.00 0.00 44.72 43.46 2jr1 s GLY 47 CO 0.29 2.95 0.84 -1.59 0.00 0.00 0.00 173.10 175.60 2jr1 s LYS 48 N 5.95 3.09 -0.57 2.90 0.00 -1.26 -5.01 119.74 124.83 2jr1 s LYS 48 Ca 0.51 -1.04 -0.10 0.00 0.00 0.00 0.00 55.97 55.34 2jr1 s LYS 48 Cb -0.06 -4.24 0.15 0.00 0.00 0.00 0.00 37.83 33.68 2jr1 s LYS 48 CO 0.05 -1.67 0.46 0.42 0.00 0.00 0.00 175.35 174.60 2jr1 s ILE 49 N 3.42 4.50 0.00 3.79 1.09 -1.26 -4.75 121.20 127.98 2jr1 s ILE 49 Ca 0.17 -2.07 -0.03 0.00 -1.10 0.00 0.00 60.65 57.62 2jr1 s ILE 49 Cb -0.20 -3.91 -0.12 0.00 -1.06 0.00 0.00 42.46 37.17 2jr1 s ILE 49 CO 0.09 -0.85 2.48 -0.81 -0.10 0.00 0.00 174.94 175.75 2jr1 n PRO 50 N 4.54 1.30 0.11 2.79 -0.04 -1.26 -4.41 135.00 138.04 2jr1 n PRO 50 Ca -0.02 -0.45 -0.12 0.00 -0.04 0.00 0.00 63.50 62.87 2jr1 n PRO 50 Cb 0.41 -1.53 -0.08 0.00 -0.04 0.00 0.00 33.50 32.27 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 2.50 -0.30 0.00 0.54 6.56 -1.98 -0.58 116.57 123.31 2jr1 h LYS 51 Ca 0.09 0.02 -0.00 0.00 -1.06 0.00 0.00 60.65 59.69 2jr1 h LYS 51 Cb 1.09 0.07 -0.00 0.00 -0.57 0.00 0.00 32.23 32.82 2jr1 h LYS 51 CO 0.14 0.07 -0.02 -1.00 -2.06 0.00 0.00 179.45 176.58 2jr1 h PRO 52 N -0.78 0.00 0.38 3.15 0.13 -1.96 -0.55 132.00 132.37 2jr1 h PRO 52 Ca -0.03 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.08 2jr1 h PRO 52 Cb 0.51 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.64 2jr1 h PRO 52 CO 0.05 0.02 -0.18 0.35 -0.23 0.00 0.00 178.00 178.01 2jr1 h PHE 53 N 0.00 -0.47 -0.06 1.56 3.57 -1.87 -2.55 116.94 117.12 2jr1 h PHE 53 Ca -0.00 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.51 2jr1 h PHE 53 Cb 0.04 0.16 -0.00 0.00 2.79 0.00 0.00 35.95 38.94 2jr1 h PHE 53 CO 0.00 -0.30 0.05 1.49 -2.23 0.00 0.00 178.31 177.33 2jr1 h GLU 54 N -0.81 0.00 0.38 1.11 4.81 -1.11 0.11 114.58 119.07 2jr1 h GLU 54 Ca -0.05 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.16 2jr1 h GLU 54 Cb 0.39 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.78 2jr1 h GLU 54 CO 0.09 0.00 -0.18 0.00 -0.73 0.00 0.00 179.01 178.19 2jr1 h ALA 55 N 1.95 -0.50 -0.24 2.92 0.00 -1.22 -2.27 119.26 119.89 2jr1 h ALA 55 Ca 0.03 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.64 2jr1 h ALA 55 Cb 0.13 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2jr1 h ALA 55 CO -0.00 -0.63 -0.35 2.35 0.00 0.00 0.00 179.25 180.62 2jr1 h TRP 56 N -0.80 0.61 0.00 0.00 7.01 -1.15 0.52 115.95 122.14 2jr1 h TRP 56 Ca -0.05 -0.16 0.00 0.00 2.11 0.00 0.00 58.89 60.79 2jr1 h TRP 56 Cb 0.53 -0.14 0.00 0.00 -2.10 0.00 0.00 29.16 27.45 2jr1 h TRP 56 CO 0.01 0.80 0.00 -0.89 -2.79 0.00 0.00 178.44 175.58 2jr1 n ILE 57 N -4.06 1.21 -1.76 2.65 2.08 0.37 -3.35 119.36 116.50 2jr1 n ILE 57 Ca -0.01 0.30 0.02 0.00 0.56 0.00 0.00 62.75 63.62 2jr1 n ILE 57 Cb 0.47 -1.30 0.03 0.00 -0.75 0.00 0.00 39.64 38.09 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 -1.30 1.43 0.09 7.39 0.00 -0.48 -3.76 105.19 108.56 2jr1 n GLY 58 Ca 0.00 -0.26 -0.10 0.00 0.00 0.00 0.00 46.02 45.66 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 5.31 1.08 0.00 2.61 2.02 -0.95 -3.38 112.91 119.60 2jr1 h THR 59 Ca 0.00 -1.52 -0.17 0.00 0.77 0.00 0.00 66.41 65.49 2jr1 h THR 59 Cb 1.30 1.93 -0.03 0.00 -1.74 0.00 0.00 68.15 69.61 2jr1 h THR 59 CO 0.00 0.32 -1.64 0.00 0.37 0.00 0.00 175.52 174.57 2jr1 n ALA 60 N -2.59 1.76 0.28 6.16 0.00 -1.26 -4.77 120.51 120.08 2jr1 n ALA 60 Ca -0.07 -0.49 0.14 0.00 0.00 0.00 0.00 53.44 53.02 2jr1 n ALA 60 Cb 0.29 0.23 0.84 0.00 0.00 0.00 0.00 19.45 20.81 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 0.03 1.37 -0.88 0.00 0.00 -1.80 -3.31 119.26 114.68 2jr1 h ALA 61 Ca -0.25 -0.05 0.20 0.00 0.00 0.00 0.00 54.91 54.81 2jr1 h ALA 61 Cb 1.40 -0.01 -0.16 0.00 0.00 0.00 0.00 17.79 19.02 2jr1 h ALA 61 CO -0.04 0.07 -0.09 -0.92 0.00 0.00 0.00 179.25 178.28 2jr1 h TYR 62 N 0.00 -0.23 -0.61 0.00 3.20 -1.75 0.76 116.97 118.34 2jr1 h TYR 62 Ca -0.00 0.07 -0.02 0.00 3.14 0.00 0.00 58.73 61.92 2jr1 h TYR 62 Cb 0.17 0.24 -0.03 0.00 1.54 0.00 0.00 36.73 38.65 2jr1 h TYR 62 CO 0.00 -0.36 0.30 0.00 -1.64 0.00 0.00 178.16 176.46 2jr1 h THR 63 N 0.03 1.20 -0.22 1.81 1.03 -1.92 0.01 112.91 114.86 2jr1 h THR 63 Ca 0.47 -0.56 -0.19 0.00 -0.01 0.00 0.00 66.41 66.12 2jr1 h THR 63 Cb 0.84 0.41 0.00 0.00 -1.07 0.00 0.00 68.15 68.34 2jr1 h THR 63 CO -0.85 0.24 -0.62 0.00 -0.01 0.00 0.00 175.52 174.28 2jr1 h ALA 64 N 1.46 0.37 -0.28 0.00 0.00 -1.64 -3.27 119.26 115.90 2jr1 h ALA 64 Ca 0.21 -0.54 0.03 0.00 0.00 0.00 0.00 54.91 54.61 2jr1 h ALA 64 Cb 0.09 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 2jr1 h ALA 64 CO -0.03 0.63 0.10 2.35 0.00 0.00 0.00 179.25 182.30 2jr1 h TRP 65 N 0.55 0.19 -0.03 0.00 7.01 -0.59 -2.45 115.95 120.63 2jr1 h TRP 65 Ca -0.02 0.01 -0.05 0.00 2.11 0.00 0.00 58.89 60.95 2jr1 h TRP 65 Cb 1.24 -0.05 -0.01 0.00 -2.10 0.00 0.00 29.16 28.24 2jr1 h TRP 65 CO 0.08 0.09 -0.20 0.87 -2.79 0.00 0.00 178.44 176.50 2jr1 h LYS 66 N 0.23 0.05 -0.56 2.65 1.79 -1.12 -0.82 116.57 118.80 2jr1 h LYS 66 Ca 0.12 -0.01 -0.10 0.00 -2.18 0.00 0.00 60.65 58.48 2jr1 h LYS 66 Cb 0.08 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 30.70 2jr1 h LYS 66 CO -0.11 0.25 -0.03 0.00 -1.08 0.00 0.00 179.45 178.47 2jr1 h ALA 67 N 1.76 0.76 0.02 3.86 0.00 -1.59 -3.39 119.26 120.68 2jr1 h ALA 67 Ca 0.01 -0.32 -0.14 0.00 0.00 0.00 0.00 54.91 54.46 2jr1 h ALA 67 Cb 0.38 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 17.98 2jr1 h ALA 67 CO 0.03 0.61 -0.56 0.87 0.00 0.00 0.00 179.25 180.20 2jr1 h LYS 68 N 0.89 0.34 -5.71 0.00 1.57 -1.09 -3.46 116.57 109.12 2jr1 h LYS 68 Ca 0.16 -0.40 -0.48 0.00 -1.87 0.00 0.00 60.65 58.06 2jr1 h LYS 68 Cb 0.58 0.12 -0.19 0.00 0.08 0.00 0.00 32.23 32.82 2jr1 h LYS 68 CO 0.03 1.09 -0.78 -1.01 -0.57 0.00 0.00 179.45 178.21 2jr1 s HIS 69 N -3.06 1.58 0.00 -1.35 3.76 -0.34 -5.12 115.29 110.75 2jr1 s HIS 69 Ca -0.14 -0.49 0.00 0.00 -0.15 0.00 0.00 55.06 54.28 2jr1 s HIS 69 Cb 0.03 -0.83 0.00 0.00 1.11 0.00 0.00 32.58 32.89 2jr1 s HIS 69 CO 0.81 0.20 0.00 -0.35 -0.85 0.00 0.00 174.74 174.54 2jr1 n PRO 70 N 0.69 0.00 -0.15 8.40 -0.04 -1.26 -3.93 135.00 138.71 2jr1 n PRO 70 Ca -0.16 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.33 2jr1 n PRO 70 Cb 0.56 0.00 0.11 0.00 -0.04 0.00 0.00 33.50 34.13 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 0.00 1.51 -0.15 3.54 2.03 -1.26 -4.65 116.55 117.58 2jr1 n ASP 71 Ca 0.00 -2.06 -0.03 0.00 0.52 0.00 0.00 54.79 53.22 2jr1 n ASP 71 Cb 0.00 -0.24 0.05 0.00 -0.72 0.00 0.00 41.12 40.22 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 1.35 0.22 -6.41 -0.67 4.81 -1.92 -3.40 114.58 108.56 2jr1 h GLU 72 Ca 0.00 -0.01 -0.53 0.00 -0.13 0.00 0.00 59.36 58.68 2jr1 h GLU 72 Cb 0.45 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.75 2jr1 h GLU 72 CO 0.03 0.15 0.24 0.21 -0.73 0.00 0.00 179.01 178.91 2jr1 s LYS 73 N -6.15 4.58 0.22 1.92 2.36 -1.26 -3.96 119.74 117.45 2jr1 s LYS 73 Ca -0.13 1.22 -0.30 0.00 -2.55 0.00 0.00 55.97 54.21 2jr1 s LYS 73 Cb 0.15 -3.36 -0.09 0.00 -1.05 0.00 0.00 37.83 33.47 2jr1 s LYS 73 CO 0.72 0.27 1.28 0.12 1.55 0.00 0.00 175.35 179.29 2jr1 s PHE 74 N -0.08 3.27 -1.17 4.03 5.36 -1.26 -4.92 117.98 123.20 2jr1 s PHE 74 Ca 0.42 1.31 -0.22 0.00 -0.96 0.00 0.00 56.93 57.47 2jr1 s PHE 74 Cb -0.22 -3.57 -0.07 0.00 -0.34 0.00 0.00 43.02 38.82 2jr1 s PHE 74 CO 0.26 -1.70 1.92 -1.25 -1.46 0.00 0.00 175.22 172.98 2jr1 s PRO 75 N -0.49 2.60 -0.17 10.12 0.04 -1.26 -4.94 135.00 140.91 2jr1 s PRO 75 Ca 0.54 -1.17 -0.11 0.00 0.04 0.00 0.00 61.00 60.31 2jr1 s PRO 75 Cb -0.36 -5.25 -0.05 0.00 0.04 0.00 0.00 34.50 28.88 2jr1 s PRO 75 CO 0.40 -3.82 0.19 0.00 0.04 0.00 0.00 177.00 173.82 2jr1 s ALA 76 N 10.48 3.68 0.27 8.56 0.00 -1.26 -5.12 121.76 138.38 2jr1 s ALA 76 Ca 0.67 -0.59 0.06 0.00 0.00 0.00 0.00 51.96 52.10 2jr1 s ALA 76 Cb -0.01 -2.22 -0.03 0.00 0.00 0.00 0.00 23.12 20.86 2jr1 s ALA 76 CO 0.12 0.21 0.37 -0.59 0.00 0.00 0.00 175.76 175.86 2jr1 s PHE 77 N 0.16 3.30 -0.82 0.00 -0.71 -1.26 -4.39 117.98 114.25 2jr1 s PHE 77 Ca 0.12 -0.10 -0.26 0.00 -1.04 0.00 0.00 56.93 55.66 2jr1 s PHE 77 Cb -0.12 -1.67 0.04 0.00 -1.21 0.00 0.00 43.02 40.06 2jr1 s PHE 77 CO 0.01 0.32 1.33 -1.25 -1.34 0.00 0.00 175.22 174.29 2jr1 s PRO 78 N -4.01 3.30 0.00 1.99 0.04 -1.26 -4.68 135.00 130.37 2jr1 s PRO 78 Ca 0.37 -0.48 0.20 0.00 0.04 0.00 0.00 61.00 61.13 2jr1 s PRO 78 Cb -0.09 -4.51 0.16 0.00 0.04 0.00 0.00 34.50 30.10 2jr1 s PRO 78 CO 0.29 -2.17 1.13 0.41 0.04 0.00 0.00 177.00 176.69