#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 -2.03 4.37 -1.24 -2.08 -3.42 115.58 112.17 2jr1 h ASN 2 Ca 0.00 -0.01 -0.59 0.00 0.71 0.00 0.00 56.30 56.42 2jr1 h ASN 2 Cb 0.00 -0.23 -0.00 0.00 0.73 0.00 0.00 38.32 38.82 2jr1 h ASN 2 CO 0.00 0.68 1.48 0.54 -1.29 0.00 0.00 177.43 178.83 2jr1 s VAL 3 N -5.98 3.02 -0.06 2.57 0.11 -1.26 -4.98 120.40 113.82 2jr1 s VAL 3 Ca -0.12 0.02 -0.04 0.00 -2.93 0.00 0.00 61.98 58.92 2jr1 s VAL 3 Cb 0.19 -3.03 0.03 0.00 -1.53 0.00 0.00 36.38 32.04 2jr1 s VAL 3 CO 0.80 -0.02 0.14 -0.54 -3.33 0.00 0.00 175.10 172.16 2jr1 s LYS 4 N 6.25 0.12 1.02 1.54 1.02 -1.26 -5.10 119.74 123.33 2jr1 s LYS 4 Ca 0.99 0.30 -0.16 0.00 0.02 0.00 0.00 55.97 57.13 2jr1 s LYS 4 Cb -0.33 -0.08 0.20 0.00 -0.52 0.00 0.00 37.83 37.10 2jr1 s LYS 4 CO 0.35 -0.11 1.18 -0.65 -0.92 0.00 0.00 175.35 175.20 2jr1 s GLN 5 N 0.75 0.21 0.03 1.68 1.11 -1.26 -4.92 119.66 117.25 2jr1 s GLN 5 Ca -0.06 -0.01 -0.30 0.00 0.01 0.00 0.00 55.36 55.00 2jr1 s GLN 5 Cb -0.07 -1.76 -0.07 0.00 -1.01 0.00 0.00 33.01 30.10 2jr1 s GLN 5 CO -0.04 -2.77 1.60 0.15 0.01 0.00 0.00 175.29 174.24 2jr1 s LYS 6 N -5.48 4.21 -0.39 2.91 3.01 -1.26 -4.97 119.74 117.77 2jr1 s LYS 6 Ca 0.69 2.22 -0.02 0.00 -1.01 0.00 0.00 55.97 57.86 2jr1 s LYS 6 Cb -0.10 -3.67 0.10 0.00 -1.01 0.00 0.00 37.83 33.15 2jr1 s LYS 6 CO 0.54 -0.72 0.16 -1.12 0.51 0.00 0.00 175.35 174.72 2jr1 s SER 7 N 2.49 5.15 -0.44 2.83 0.01 -1.26 -4.97 113.70 117.50 2jr1 s SER 7 Ca 0.72 -2.01 -0.04 0.00 1.31 0.00 0.00 55.95 55.93 2jr1 s SER 7 Cb -0.37 -1.79 0.12 0.00 0.21 0.00 0.00 66.02 64.20 2jr1 s SER 7 CO 0.30 -0.50 0.25 -1.61 0.41 0.00 0.00 173.24 172.10 2jr1 s GLU 8 N 1.10 2.12 -0.04 12.44 2.02 -1.25 -3.70 118.70 131.40 2jr1 s GLU 8 Ca 0.08 -1.89 -0.02 0.00 0.02 0.00 0.00 54.97 53.16 2jr1 s GLU 8 Cb -0.22 -3.65 -0.04 0.00 0.10 0.00 0.00 34.13 30.33 2jr1 s GLU 8 CO -0.05 -1.10 0.07 0.42 0.02 0.00 0.00 175.26 174.63 2jr1 s ILE 9 N 1.04 4.77 0.77 -1.63 -1.09 -0.70 -5.00 121.20 119.36 2jr1 s ILE 9 Ca 0.09 -0.28 -0.12 0.00 -2.23 0.00 0.00 60.65 58.11 2jr1 s ILE 9 Cb -0.23 -3.13 0.06 0.00 -1.58 0.00 0.00 42.46 37.58 2jr1 s ILE 9 CO -0.04 0.44 1.12 -0.89 -1.23 0.00 0.00 174.94 174.34 2jr1 s THR 10 N -1.11 3.00 0.22 2.92 2.01 -1.26 -3.31 115.64 118.11 2jr1 s THR 10 Ca 0.20 0.37 -0.31 0.00 0.31 0.00 0.00 61.69 62.26 2jr1 s THR 10 Cb -0.12 -2.79 -0.11 0.00 0.01 0.00 0.00 72.50 69.49 2jr1 s THR 10 CO 0.10 -0.38 1.64 0.00 -0.69 0.00 0.00 174.62 175.29 2jr1 s ALA 11 N -2.65 3.84 0.07 7.40 0.00 -1.16 -4.83 121.76 124.42 2jr1 s ALA 11 Ca 0.65 1.51 0.03 0.00 0.00 0.00 0.00 51.96 54.15 2jr1 s ALA 11 Cb -0.20 -3.66 -0.04 0.00 0.00 0.00 0.00 23.12 19.22 2jr1 s ALA 11 CO 0.52 -0.89 0.04 -1.17 0.00 0.00 0.00 175.76 174.27 2jr1 s LEU 12 N 0.74 3.66 0.39 0.00 2.96 -1.26 -4.95 118.68 120.21 2jr1 s LEU 12 Ca 0.70 -0.05 -0.26 0.00 -0.22 0.00 0.00 54.13 54.30 2jr1 s LEU 12 Cb -0.47 -2.31 -0.11 0.00 0.50 0.00 0.00 46.19 43.80 2jr1 s LEU 12 CO 0.36 0.20 1.20 1.33 -1.32 0.00 0.00 176.35 178.11 2jr1 n VAL 13 N 0.68 2.36 -2.07 1.68 0.24 -1.26 -4.58 118.33 115.36 2jr1 n VAL 13 Ca -0.10 -0.50 -0.40 0.00 -2.04 0.00 0.00 64.34 61.29 2jr1 n VAL 13 Cb 0.52 -1.43 -0.02 0.00 -1.47 0.00 0.00 33.84 31.44 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 -2.04 4.24 -0.59 7.34 2.36 -1.02 -4.93 119.74 125.10 2jr1 s LYS 14 Ca 0.60 2.23 -0.28 0.00 -2.55 0.00 0.00 55.97 55.98 2jr1 s LYS 14 Cb -0.55 -2.99 0.01 0.00 -1.05 0.00 0.00 37.83 33.26 2jr1 s LYS 14 CO 0.59 -0.29 1.45 -1.21 1.55 0.00 0.00 175.35 177.44 2jr1 s GLU 15 N -1.93 3.20 -0.03 4.03 8.01 -1.26 -4.59 118.70 126.13 2jr1 s GLU 15 Ca 0.51 0.37 0.03 0.00 0.01 0.00 0.00 54.97 55.90 2jr1 s GLU 15 Cb -0.40 -4.17 -0.00 0.00 -4.31 0.00 0.00 34.13 25.25 2jr1 s GLU 15 CO 0.53 -2.07 -0.13 0.08 0.01 0.00 0.00 175.26 173.68 2jr1 s VAL 16 N 6.38 1.14 -0.03 2.63 1.01 -1.26 -5.10 120.40 125.16 2jr1 s VAL 16 Ca 0.52 -0.56 -0.20 0.00 0.00 0.00 0.00 61.98 61.74 2jr1 s VAL 16 Cb -0.11 -0.99 -0.13 0.00 0.00 0.00 0.00 36.38 35.16 2jr1 s VAL 16 CO 0.23 0.34 0.84 0.74 0.00 0.00 0.00 175.10 177.24 2jr1 h THR 17 N 5.30 0.44 -4.13 3.92 2.02 -1.94 -3.46 112.91 115.06 2jr1 h THR 17 Ca -0.33 -0.79 -0.49 0.00 0.77 0.00 0.00 66.41 65.57 2jr1 h THR 17 Cb 1.17 0.71 0.15 0.00 -1.74 0.00 0.00 68.15 68.43 2jr1 h THR 17 CO 0.48 0.10 0.26 -2.16 0.37 0.00 0.00 175.52 174.58 2jr1 s PRO 18 N -3.63 1.45 -1.25 6.66 0.04 -1.26 -4.92 135.00 132.10 2jr1 s PRO 18 Ca -0.11 0.93 -0.20 0.00 0.04 0.00 0.00 61.00 61.66 2jr1 s PRO 18 Cb 0.01 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.73 2jr1 s PRO 18 CO 0.39 -2.14 1.83 -0.35 0.04 0.00 0.00 177.00 176.77 2jr1 n PRO 19 N -3.83 2.55 -3.68 0.56 -0.04 -1.26 -4.85 135.00 124.46 2jr1 n PRO 19 Ca 0.08 -2.93 -0.10 0.00 -0.04 0.00 0.00 63.50 60.51 2jr1 n PRO 19 Cb 0.55 -3.57 -0.10 0.00 -0.04 0.00 0.00 33.50 30.33 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 5.08 0.33 -0.27 0.54 3.52 -1.26 -5.15 118.95 121.73 2jr1 s ARG 20 Ca 0.59 0.89 -0.03 0.00 -0.13 0.00 0.00 55.73 57.06 2jr1 s ARG 20 Cb 0.03 0.14 0.03 0.00 -1.56 0.00 0.00 34.95 33.58 2jr1 s ARG 20 CO 0.10 -0.21 -0.01 0.15 -0.81 0.00 0.00 175.30 174.51 2jr1 s LYS 21 N 2.05 2.78 0.02 5.12 -0.14 -1.26 -4.73 119.74 123.58 2jr1 s LYS 21 Ca -0.05 -1.03 -0.17 0.00 -1.36 0.00 0.00 55.97 53.36 2jr1 s LYS 21 Cb -0.10 -3.12 -0.06 0.00 -1.68 0.00 0.00 37.83 32.87 2jr1 s LYS 21 CO -0.12 -0.47 0.49 0.00 -0.76 0.00 0.00 175.35 174.49 2jr1 s ALA 22 N 1.34 3.62 -1.28 5.17 0.00 -1.26 -4.95 121.76 124.40 2jr1 s ALA 22 Ca -0.01 -0.09 -0.19 0.00 0.00 0.00 0.00 51.96 51.67 2jr1 s ALA 22 Cb -0.18 -2.54 0.05 0.00 0.00 0.00 0.00 23.12 20.46 2jr1 s ALA 22 CO -0.02 0.38 1.75 -1.25 0.00 0.00 0.00 175.76 176.62 2jr1 s PRO 23 N -0.88 3.80 0.35 0.00 0.04 -1.26 -2.44 135.00 134.62 2jr1 s PRO 23 Ca 0.27 -1.87 -0.25 0.00 0.04 0.00 0.00 61.00 59.18 2jr1 s PRO 23 Cb -0.18 -5.50 -0.10 0.00 0.04 0.00 0.00 34.50 28.77 2jr1 s PRO 23 CO 0.16 -2.46 1.00 -1.54 0.04 0.00 0.00 177.00 174.20 2jr1 s SER 24 N 4.52 7.09 -1.09 6.66 1.04 -1.26 -4.99 113.70 125.67 2jr1 s SER 24 Ca 0.55 1.95 -0.20 0.00 0.48 0.00 0.00 55.95 58.73 2jr1 s SER 24 Cb 0.03 -2.58 0.08 0.00 0.10 0.00 0.00 66.02 63.64 2jr1 s SER 24 CO 0.08 -0.25 1.47 -0.54 0.98 0.00 0.00 173.24 174.98 2jr1 s LYS 25 N -2.20 3.73 -0.23 4.02 3.01 -1.20 -4.70 119.74 122.17 2jr1 s LYS 25 Ca 0.53 -1.55 -0.09 0.00 -1.01 0.00 0.00 55.97 53.85 2jr1 s LYS 25 Cb -0.21 -5.32 -0.04 0.00 -1.01 0.00 0.00 37.83 31.25 2jr1 s LYS 25 CO 0.26 -2.12 0.11 0.00 0.51 0.00 0.00 175.35 174.11 2jr1 s ALA 26 N 4.18 3.43 -0.08 5.17 0.00 -1.26 -3.32 121.76 129.88 2jr1 s ALA 26 Ca 0.46 -0.91 -0.01 0.00 0.00 0.00 0.00 51.96 51.50 2jr1 s ALA 26 Cb 0.00 -2.14 0.03 0.00 0.00 0.00 0.00 23.12 21.01 2jr1 s ALA 26 CO -0.05 -0.16 -0.03 0.15 0.00 0.00 0.00 175.76 175.68 2jr1 s LYS 27 N 1.00 0.89 -0.40 0.00 3.01 -1.23 -3.01 119.74 120.00 2jr1 s LYS 27 Ca 0.05 -0.02 -0.14 0.00 -1.01 0.00 0.00 55.97 54.86 2jr1 s LYS 27 Cb -0.14 -1.13 0.02 0.00 -1.01 0.00 0.00 37.83 35.58 2jr1 s LYS 27 CO 0.03 -0.27 0.27 1.03 0.51 0.00 0.00 175.35 176.93 2jr1 s ARG 28 N 1.79 2.92 -0.04 1.68 0.52 -1.21 -3.36 118.95 121.25 2jr1 s ARG 28 Ca 0.03 -1.04 -0.02 0.00 -0.52 0.00 0.00 55.73 54.18 2jr1 s ARG 28 Cb -0.13 -3.90 0.02 0.00 0.52 0.00 0.00 34.95 31.46 2jr1 s ARG 28 CO -0.05 -0.74 0.08 -1.21 0.02 0.00 0.00 175.30 173.40 2jr1 s GLU 29 N 1.64 0.07 -0.33 3.54 2.02 -1.18 -1.71 118.70 122.75 2jr1 s GLU 29 Ca 0.04 0.18 -0.15 0.00 0.02 0.00 0.00 54.97 55.06 2jr1 s GLU 29 Cb -0.19 -0.05 -0.02 0.00 0.10 0.00 0.00 34.13 33.97 2jr1 s GLU 29 CO 0.09 -0.07 0.36 0.00 0.02 0.00 0.00 175.26 175.66 2jr1 s ALA 30 N 0.45 3.51 0.00 5.21 0.00 -1.25 -1.42 121.76 128.26 2jr1 s ALA 30 Ca -0.03 -1.13 0.00 0.00 0.00 0.00 0.00 51.96 50.80 2jr1 s ALA 30 Cb -0.05 -2.79 0.00 0.00 0.00 0.00 0.00 23.12 20.28 2jr1 s ALA 30 CO -0.02 -0.97 0.00 -0.35 0.00 0.00 0.00 175.76 174.42 2jr1 n PRO 31 N 5.37 0.00 -4.35 0.00 -0.04 -1.26 -4.76 135.00 129.95 2jr1 n PRO 31 Ca -0.09 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.15 2jr1 n PRO 31 Cb 0.50 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 0.02 0.78 -0.10 0.52 -4.36 -1.26 -4.65 121.20 112.15 2jr1 s ILE 32 Ca 0.00 -0.29 0.26 0.00 -0.26 0.00 0.00 60.65 60.36 2jr1 s ILE 32 Cb 0.00 -0.75 0.30 0.00 1.25 0.00 0.00 42.46 43.27 2jr1 s ILE 32 CO 0.00 0.27 1.77 0.50 0.24 0.00 0.00 174.94 177.72 2jr1 h LYS 33 N 6.95 0.00 -0.68 0.37 1.63 -1.96 -2.47 116.57 120.41 2jr1 h LYS 33 Ca -0.35 0.00 -0.07 0.00 -0.85 0.00 0.00 60.65 59.38 2jr1 h LYS 33 Cb 1.17 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.77 2jr1 h LYS 33 CO 0.48 0.10 0.16 -0.92 -3.45 0.00 0.00 179.45 175.82 2jr1 h TYR 34 N 0.00 1.15 0.05 1.91 3.20 -1.98 -3.35 116.97 117.96 2jr1 h TYR 34 Ca -0.00 -0.14 -0.14 0.00 3.14 0.00 0.00 58.73 61.59 2jr1 h TYR 34 Cb 0.82 -0.32 -0.00 0.00 1.54 0.00 0.00 36.73 38.76 2jr1 h TYR 34 CO 0.00 0.94 -0.69 2.35 -1.64 0.00 0.00 178.16 179.12 2jr1 h TRP 35 N 1.03 0.21 -3.26 -3.82 7.01 -2.01 -3.47 115.95 111.63 2jr1 h TRP 35 Ca 0.21 -0.15 -0.66 0.00 2.11 0.00 0.00 58.89 60.40 2jr1 h TRP 35 Cb 0.38 -0.01 -0.30 0.00 -2.10 0.00 0.00 29.16 27.12 2jr1 h TRP 35 CO 0.03 1.27 -0.80 -0.51 -2.79 0.00 0.00 178.44 175.64 2jr1 s LEU 36 N -7.95 2.49 0.53 0.65 1.43 -0.93 -5.05 118.68 109.86 2jr1 s LEU 36 Ca -0.20 -0.48 0.29 0.00 -1.03 0.00 0.00 54.13 52.72 2jr1 s LEU 36 Cb 0.01 -1.58 1.48 0.00 0.03 0.00 0.00 46.19 46.14 2jr1 s LEU 36 CO 0.72 0.06 2.07 1.55 0.23 0.00 0.00 176.35 180.98 2jr1 h PRO 37 N 7.47 0.00 -4.62 1.29 0.13 -1.86 -3.36 132.00 131.05 2jr1 h PRO 37 Ca -0.35 0.00 -0.70 0.00 -0.87 0.00 0.00 66.00 64.08 2jr1 h PRO 37 Cb 1.18 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.03 2jr1 h PRO 37 CO 0.58 0.11 -0.57 -1.58 -0.23 0.00 0.00 178.00 176.30 2jr1 s HIS 38 N -4.09 3.28 -0.65 1.56 5.65 -1.26 -5.02 115.29 114.76 2jr1 s HIS 38 Ca -0.02 -1.45 -0.27 0.00 0.25 0.00 0.00 55.06 53.57 2jr1 s HIS 38 Cb 0.12 -2.45 0.03 0.00 -1.18 0.00 0.00 32.58 29.11 2jr1 s HIS 38 CO 0.57 -0.75 1.21 -1.54 -0.65 0.00 0.00 174.74 173.58 2jr1 s SER 39 N 1.55 6.31 0.00 9.88 1.04 -1.26 -4.74 113.70 126.49 2jr1 s SER 39 Ca -0.00 -0.19 0.00 0.00 0.48 0.00 0.00 55.95 56.24 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 0.03 -1.62 0.00 0.61 0.98 0.00 0.00 173.24 173.23 2jr1 n GLY 40 N 5.21 -0.50 3.28 7.32 0.00 -1.25 -4.63 105.19 114.62 2jr1 n GLY 40 Ca 0.05 0.38 -0.37 0.00 0.00 0.00 0.00 46.02 46.09 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 3.01 -0.15 4.61 0.00 -0.51 -4.81 121.76 123.91 2jr1 s ALA 41 Ca 0.00 -1.64 -0.26 0.00 0.00 0.00 0.00 51.96 50.06 2jr1 s ALA 41 Cb 0.00 -2.17 -0.02 0.00 0.00 0.00 0.00 23.12 20.93 2jr1 s ALA 41 CO 0.00 -1.18 0.85 -0.08 0.00 0.00 0.00 175.76 175.35 2jr1 s THR 42 N 1.41 4.87 -0.31 0.00 -1.32 -1.26 -3.12 115.64 115.92 2jr1 s THR 42 Ca -0.01 1.69 -0.00 0.00 -1.21 0.00 0.00 61.69 62.17 2jr1 s THR 42 Cb -0.19 -4.16 0.10 0.00 -1.51 0.00 0.00 72.50 66.74 2jr1 s THR 42 CO 0.02 0.03 0.08 0.86 -2.21 0.00 0.00 174.62 173.41 2jr1 s TRP 43 N 2.05 2.04 -1.03 9.09 -0.11 -1.21 -5.02 118.94 124.75 2jr1 s TRP 43 Ca 0.40 -1.91 -0.16 0.00 1.22 0.00 0.00 56.10 55.65 2jr1 s TRP 43 Cb -0.17 -1.88 0.16 0.00 -1.50 0.00 0.00 33.47 30.09 2jr1 s TRP 43 CO 0.14 -0.88 1.19 -1.12 -4.62 0.00 0.00 176.95 171.66 2jr1 s SER 44 N 1.50 6.84 0.00 5.86 0.01 -1.26 -3.58 113.70 123.07 2jr1 s SER 44 Ca 0.09 -2.53 0.00 0.00 1.31 0.00 0.00 55.95 54.82 2jr1 s SER 44 Cb -0.18 -2.37 0.00 0.00 0.21 0.00 0.00 66.02 63.69 2jr1 s SER 44 CO -0.21 -0.86 0.00 0.61 0.41 0.00 0.00 173.24 173.19 2jr1 n GLY 45 N 4.69 -1.71 3.73 3.44 0.00 -1.21 -4.86 105.19 109.28 2jr1 n GLY 45 Ca 0.27 0.59 -0.41 0.00 0.00 0.00 0.00 46.02 46.46 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 4.48 -0.95 1.61 3.00 -1.26 -3.24 118.95 122.59 2jr1 s ARG 46 Ca 0.00 1.86 -0.24 0.00 -1.00 0.00 0.00 55.73 56.35 2jr1 s ARG 46 Cb 0.00 -3.26 -0.01 0.00 0.00 0.00 0.00 34.95 31.69 2jr1 s ARG 46 CO 0.00 -0.12 1.74 0.20 0.00 0.00 0.00 175.30 177.13 2jr1 s GLY 47 N 0.28 0.62 -0.66 8.12 0.00 -1.25 -4.82 107.32 109.61 2jr1 s GLY 47 Ca 0.54 -1.82 -0.21 0.00 0.00 0.00 0.00 44.72 43.23 2jr1 s GLY 47 CO 0.35 3.16 0.89 1.25 0.00 0.00 0.00 173.10 178.75 2jr1 s LYS 48 N 6.18 3.14 -0.31 2.90 2.36 -1.26 -5.01 119.74 127.73 2jr1 s LYS 48 Ca 0.60 -1.12 -0.06 0.00 -2.55 0.00 0.00 55.97 52.84 2jr1 s LYS 48 Cb -0.04 -4.31 0.03 0.00 -1.05 0.00 0.00 37.83 32.45 2jr1 s LYS 48 CO -0.04 -1.71 0.08 0.42 1.55 0.00 0.00 175.35 175.65 2jr1 s ILE 49 N 3.39 3.79 0.00 5.43 1.09 -1.26 -4.69 121.20 128.95 2jr1 s ILE 49 Ca 0.19 -0.93 -0.04 0.00 -1.10 0.00 0.00 60.65 58.77 2jr1 s ILE 49 Cb -0.18 -3.05 -0.19 0.00 -1.06 0.00 0.00 42.46 37.97 2jr1 s ILE 49 CO 0.07 -0.04 3.14 -0.81 -0.10 0.00 0.00 174.94 177.20 2jr1 n PRO 50 N 4.82 1.70 0.13 2.79 -0.04 -1.26 -4.56 135.00 138.58 2jr1 n PRO 50 Ca -0.14 -0.72 -0.12 0.00 -0.04 0.00 0.00 63.50 62.48 2jr1 n PRO 50 Cb 0.46 -1.73 -0.08 0.00 -0.04 0.00 0.00 33.50 32.11 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 2.54 -0.36 0.00 0.54 1.79 -1.98 -0.55 116.57 118.56 2jr1 h LYS 51 Ca 0.14 0.02 -0.00 0.00 -2.18 0.00 0.00 60.65 58.63 2jr1 h LYS 51 Cb 1.35 0.08 -0.00 0.00 -1.58 0.00 0.00 32.23 32.08 2jr1 h LYS 51 CO 0.17 -0.01 -0.02 -1.00 -1.08 0.00 0.00 179.45 177.52 2jr1 h PRO 52 N -0.82 0.00 0.32 3.15 0.13 -1.97 -1.18 132.00 131.64 2jr1 h PRO 52 Ca -0.04 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 31.65 2jr1 h PRO 52 CO 0.06 0.02 -0.15 0.35 -0.23 0.00 0.00 178.00 178.05 2jr1 h PHE 53 N 0.00 -0.40 -0.06 1.56 3.57 -1.90 -2.39 116.94 117.31 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 0.13 -0.00 0.00 2.79 0.00 0.00 35.95 38.91 2jr1 h PHE 53 CO 0.00 -0.25 0.05 1.49 -2.23 0.00 0.00 178.31 177.37 2jr1 h GLU 54 N -0.72 0.00 0.16 1.11 4.81 -1.12 0.98 114.58 119.80 2jr1 h GLU 54 Ca -0.04 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 2jr1 h GLU 54 Cb 0.33 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.71 2jr1 h GLU 54 CO 0.07 0.00 -0.08 0.00 -0.73 0.00 0.00 179.01 178.28 2jr1 h ALA 55 N 1.95 -0.22 -0.52 2.92 0.00 -1.35 -2.47 119.26 119.58 2jr1 h ALA 55 Ca 0.03 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.66 2jr1 h ALA 55 Cb 0.14 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2jr1 h ALA 55 CO -0.00 -0.41 -0.01 2.35 0.00 0.00 0.00 179.25 181.18 2jr1 h TRP 56 N -0.64 0.95 0.00 0.00 7.01 -1.14 0.20 115.95 122.32 2jr1 h TRP 56 Ca -0.02 -0.14 0.00 0.00 2.11 0.00 0.00 58.89 60.83 2jr1 h TRP 56 Cb 0.47 -0.25 0.00 0.00 -2.10 0.00 0.00 29.16 27.28 2jr1 h TRP 56 CO 0.05 0.86 0.00 -0.89 -2.79 0.00 0.00 178.44 175.68 2jr1 n ILE 57 N -4.20 1.33 -0.00 2.65 2.08 0.31 -3.01 119.36 118.52 2jr1 n ILE 57 Ca 0.03 0.33 0.03 0.00 0.56 0.00 0.00 62.75 63.70 2jr1 n ILE 57 Cb 0.32 -1.31 -0.05 0.00 -0.75 0.00 0.00 39.64 37.84 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 -1.23 -0.32 0.20 7.39 0.00 -0.47 -3.35 105.19 107.40 2jr1 n GLY 58 Ca 0.01 -0.17 -0.03 0.00 0.00 0.00 0.00 46.02 45.83 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 0.53 0.00 2.61 2.02 -0.57 -3.21 112.91 114.29 2jr1 h THR 59 Ca -0.01 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.16 2jr1 h THR 59 Cb 0.37 0.49 0.00 0.00 -1.74 0.00 0.00 68.15 67.27 2jr1 h THR 59 CO 0.00 0.01 -0.98 0.00 0.37 0.00 0.00 175.52 174.92 2jr1 n ALA 60 N -2.80 1.99 0.28 6.16 0.00 -1.26 -4.86 120.51 120.02 2jr1 n ALA 60 Ca 0.05 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.65 2jr1 n ALA 60 Cb 0.27 0.35 0.84 0.00 0.00 0.00 0.00 19.45 20.91 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 1.16 -0.80 0.00 0.00 -1.75 -3.32 119.26 114.54 2jr1 h ALA 61 Ca 0.00 -0.06 0.14 0.00 0.00 0.00 0.00 54.91 54.99 2jr1 h ALA 61 Cb 0.98 -0.01 -0.14 0.00 0.00 0.00 0.00 17.79 18.62 2jr1 h ALA 61 CO 0.00 0.08 -0.31 -0.92 0.00 0.00 0.00 179.25 178.10 2jr1 h TYR 62 N 0.00 -0.83 -0.57 0.00 3.20 -1.55 0.14 116.97 117.35 2jr1 h TYR 62 Ca -0.00 0.08 0.01 0.00 3.14 0.00 0.00 58.73 61.97 2jr1 h TYR 62 Cb 0.29 0.48 -0.03 0.00 1.54 0.00 0.00 36.73 39.02 2jr1 h TYR 62 CO 0.00 -0.38 0.38 0.00 -1.64 0.00 0.00 178.16 176.52 2jr1 h THR 63 N -0.06 1.12 -0.19 1.81 1.03 -1.87 -0.15 112.91 114.61 2jr1 h THR 63 Ca 0.32 -0.25 -0.17 0.00 -0.01 0.00 0.00 66.41 66.30 2jr1 h THR 63 Cb 0.59 0.32 0.00 0.00 -1.07 0.00 0.00 68.15 67.99 2jr1 h THR 63 CO -0.84 0.14 -0.55 0.00 -0.01 0.00 0.00 175.52 174.26 2jr1 h ALA 64 N 1.65 0.32 -0.24 0.00 0.00 -1.63 -3.32 119.26 116.05 2jr1 h ALA 64 Ca 0.22 -0.51 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 2jr1 h ALA 64 Cb -0.03 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2jr1 h ALA 64 CO -0.05 0.53 0.15 2.35 0.00 0.00 0.00 179.25 182.23 2jr1 h TRP 65 N 0.41 0.31 0.00 0.00 7.01 -0.33 -2.90 115.95 120.45 2jr1 h TRP 65 Ca -0.01 0.00 -0.01 0.00 2.11 0.00 0.00 58.89 60.98 2jr1 h TRP 65 Cb 1.17 -0.10 -0.00 0.00 -2.10 0.00 0.00 29.16 28.12 2jr1 h TRP 65 CO 0.09 0.23 -0.04 0.87 -2.79 0.00 0.00 178.44 176.80 2jr1 h LYS 66 N 0.31 0.00 -0.07 2.65 1.79 -1.16 -1.16 116.57 118.93 2jr1 h LYS 66 Ca 0.09 0.00 -0.24 0.00 -2.18 0.00 0.00 60.65 58.32 2jr1 h LYS 66 Cb -0.00 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 30.66 2jr1 h LYS 66 CO -0.02 0.04 -0.90 0.00 -1.08 0.00 0.00 179.45 177.49 2jr1 h ALA 67 N 1.96 0.26 -0.12 3.86 0.00 -1.63 -3.39 119.26 120.20 2jr1 h ALA 67 Ca -0.00 -0.65 -0.21 0.00 0.00 0.00 0.00 54.91 54.05 2jr1 h ALA 67 Cb 0.14 0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.95 2jr1 h ALA 67 CO 0.00 0.70 -0.73 0.87 0.00 0.00 0.00 179.25 180.10 2jr1 h LYS 68 N 0.44 0.71 -5.09 0.00 1.57 -1.26 -3.47 116.57 109.47 2jr1 h LYS 68 Ca -0.09 -0.60 -0.33 0.00 -1.87 0.00 0.00 60.65 57.76 2jr1 h LYS 68 Cb 1.54 0.13 -0.15 0.00 0.08 0.00 0.00 32.23 33.83 2jr1 h LYS 68 CO 0.18 1.21 -0.72 -1.01 -0.57 0.00 0.00 179.45 178.54 2jr1 s HIS 69 N -3.68 1.28 0.00 -1.35 3.76 -0.47 -5.13 115.29 109.69 2jr1 s HIS 69 Ca -0.11 -0.75 0.00 0.00 -0.15 0.00 0.00 55.06 54.05 2jr1 s HIS 69 Cb 0.08 -0.65 0.00 0.00 1.11 0.00 0.00 32.58 33.12 2jr1 s HIS 69 CO 0.89 0.09 0.00 -0.35 -0.85 0.00 0.00 174.74 174.52 2jr1 n PRO 70 N -0.18 0.00 -2.98 8.40 -0.04 -1.26 -3.96 135.00 134.98 2jr1 n PRO 70 Ca -0.10 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 62.98 2jr1 n PRO 70 Cb 0.60 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 34.05 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 5.95 -0.09 3.54 -0.08 -1.26 -4.60 116.55 120.02 2jr1 n ASP 71 Ca 0.00 -3.53 -0.17 0.00 -1.51 0.00 0.00 54.79 49.58 2jr1 n ASP 71 Cb 0.00 -1.04 -0.12 0.00 2.34 0.00 0.00 41.12 42.30 2jr1 n ASP 71 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 2jr1 h GLU 72 N 4.56 0.00 -6.69 -0.67 4.81 -1.92 -3.46 114.58 111.22 2jr1 h GLU 72 Ca 0.28 0.00 -0.51 0.00 -0.13 0.00 0.00 59.36 59.00 2jr1 h GLU 72 Cb 0.53 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.92 2jr1 h GLU 72 CO 1.14 0.95 0.48 0.21 -0.73 0.00 0.00 179.01 181.06 2jr1 s LYS 73 N -2.27 4.60 0.33 1.92 2.20 -1.26 -4.29 119.74 120.97 2jr1 s LYS 73 Ca -0.23 1.74 -0.29 0.00 -0.36 0.00 0.00 55.97 56.84 2jr1 s LYS 73 Cb 0.01 -3.26 -0.10 0.00 -1.51 0.00 0.00 37.83 32.97 2jr1 s LYS 73 CO 0.62 0.10 1.31 0.12 -0.36 0.00 0.00 175.35 177.13 2jr1 s PHE 74 N -0.43 3.04 -1.11 4.03 5.36 -1.26 -4.92 117.98 122.68 2jr1 s PHE 74 Ca 0.48 1.42 -0.21 0.00 -0.96 0.00 0.00 56.93 57.66 2jr1 s PHE 74 Cb -0.30 -3.68 -0.07 0.00 -0.34 0.00 0.00 43.02 38.63 2jr1 s PHE 74 CO 0.36 -1.87 1.93 -0.35 -1.46 0.00 0.00 175.22 173.83 2jr1 n PRO 75 N 0.77 2.01 -3.49 10.12 -0.04 -1.26 -4.95 135.00 138.16 2jr1 n PRO 75 Ca 0.00 -2.45 -0.37 0.00 -0.04 0.00 0.00 63.50 60.64 2jr1 n PRO 75 Cb 0.42 -3.39 -0.06 0.00 -0.04 0.00 0.00 33.50 30.42 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 7.06 3.61 0.21 0.55 0.00 -1.26 -5.11 121.76 126.82 2jr1 s ALA 76 Ca 0.60 -0.33 0.05 0.00 0.00 0.00 0.00 51.96 52.28 2jr1 s ALA 76 Cb 0.06 -2.43 -0.03 0.00 0.00 0.00 0.00 23.12 20.73 2jr1 s ALA 76 CO 0.10 0.22 0.26 -0.59 0.00 0.00 0.00 175.76 175.74 2jr1 s PHE 77 N -0.04 3.31 -1.40 0.00 -0.12 -1.26 -4.37 117.98 114.10 2jr1 s PHE 77 Ca 0.21 -0.01 -0.11 0.00 -0.05 0.00 0.00 56.93 56.96 2jr1 s PHE 77 Cb -0.15 -1.54 0.08 0.00 -0.63 0.00 0.00 43.02 40.79 2jr1 s PHE 77 CO 0.08 0.49 2.17 -0.35 -0.05 0.00 0.00 175.22 177.56 2jr1 n PRO 78 N -0.98 3.35 -0.52 1.99 -0.04 -1.26 -4.72 135.00 132.82 2jr1 n PRO 78 Ca -0.08 -2.99 0.00 0.00 -0.04 0.00 0.00 63.50 60.39 2jr1 n PRO 78 Cb 0.56 -3.06 0.00 0.00 -0.04 0.00 0.00 33.50 30.97 2jr1 n PRO 78 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87