#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 0.43 -3.73 -2.13 -1.24 -2.05 -3.40 115.58 103.46 2jr1 h ASN 2 Ca 0.00 -0.45 -0.67 0.00 0.71 0.00 0.00 56.30 55.89 2jr1 h ASN 2 Cb 0.00 -0.12 -0.20 0.00 0.73 0.00 0.00 38.32 38.73 2jr1 h ASN 2 CO 0.00 0.79 -0.52 0.54 -1.29 0.00 0.00 177.43 176.95 2jr1 s VAL 3 N -4.41 5.03 -0.16 2.57 0.11 -1.26 -4.98 120.40 117.30 2jr1 s VAL 3 Ca -0.14 -0.20 -0.04 0.00 -2.93 0.00 0.00 61.98 58.68 2jr1 s VAL 3 Cb 0.06 -3.53 0.07 0.00 -1.53 0.00 0.00 36.38 31.45 2jr1 s VAL 3 CO 0.76 0.09 0.20 -0.75 -3.33 0.00 0.00 175.10 172.06 2jr1 s LYS 4 N 1.69 0.13 0.71 1.54 2.36 -1.26 -5.16 119.74 119.75 2jr1 s LYS 4 Ca 0.06 0.36 -0.15 0.00 -2.55 0.00 0.00 55.97 53.68 2jr1 s LYS 4 Cb -0.17 -0.83 0.03 0.00 -1.05 0.00 0.00 37.83 35.81 2jr1 s LYS 4 CO 0.09 -0.51 1.18 -0.65 1.55 0.00 0.00 175.35 177.01 2jr1 s GLN 5 N 2.31 2.32 0.58 4.03 1.11 -1.26 -4.90 119.66 123.86 2jr1 s GLN 5 Ca 0.05 1.66 -0.16 0.00 0.01 0.00 0.00 55.36 56.91 2jr1 s GLN 5 Cb -0.14 -1.87 -0.04 0.00 -1.01 0.00 0.00 33.01 29.95 2jr1 s GLN 5 CO -0.09 -1.67 1.06 0.15 0.01 0.00 0.00 175.29 174.74 2jr1 s LYS 6 N -3.94 3.36 -0.31 2.91 -0.14 -1.25 -5.03 119.74 115.32 2jr1 s LYS 6 Ca 0.72 1.26 -0.03 0.00 -1.36 0.00 0.00 55.97 56.56 2jr1 s LYS 6 Cb -0.27 -2.03 0.11 0.00 -1.68 0.00 0.00 37.83 33.96 2jr1 s LYS 6 CO 0.44 -0.79 0.16 -1.12 -0.76 0.00 0.00 175.35 173.28 2jr1 s SER 7 N -2.62 3.33 -0.46 2.83 0.01 -1.26 -4.99 113.70 110.55 2jr1 s SER 7 Ca 0.65 -1.59 -0.13 0.00 1.31 0.00 0.00 55.95 56.18 2jr1 s SER 7 Cb -0.17 -0.36 0.08 0.00 0.21 0.00 0.00 66.02 65.78 2jr1 s SER 7 CO 0.34 -0.39 0.35 -1.61 0.41 0.00 0.00 173.24 172.34 2jr1 s GLU 8 N 1.75 2.84 -0.06 12.44 2.02 -1.26 -3.73 118.70 132.70 2jr1 s GLU 8 Ca 0.12 -1.42 0.01 0.00 0.02 0.00 0.00 54.97 53.70 2jr1 s GLU 8 Cb -0.18 -4.01 -0.03 0.00 0.10 0.00 0.00 34.13 30.00 2jr1 s GLU 8 CO -0.24 -1.02 -0.06 0.42 0.02 0.00 0.00 175.26 174.38 2jr1 s ILE 9 N 1.56 3.74 0.74 -1.63 -1.09 -0.65 -5.03 121.20 118.84 2jr1 s ILE 9 Ca 0.04 -0.51 -0.11 0.00 -2.23 0.00 0.00 60.65 57.84 2jr1 s ILE 9 Cb -0.24 -2.55 0.04 0.00 -1.58 0.00 0.00 42.46 38.13 2jr1 s ILE 9 CO 0.05 0.57 1.09 -0.89 -1.23 0.00 0.00 174.94 174.52 2jr1 s THR 10 N -0.84 3.48 -0.24 2.92 2.01 -1.26 -3.54 115.64 118.16 2jr1 s THR 10 Ca 0.13 0.51 -0.28 0.00 0.31 0.00 0.00 61.69 62.36 2jr1 s THR 10 Cb -0.11 -3.05 -0.04 0.00 0.01 0.00 0.00 72.50 69.31 2jr1 s THR 10 CO 0.02 -0.60 2.10 0.00 -0.69 0.00 0.00 174.62 175.45 2jr1 s ALA 11 N -2.87 2.79 0.64 7.40 0.00 -1.21 -4.89 121.76 123.62 2jr1 s ALA 11 Ca 0.61 0.66 -0.02 0.00 0.00 0.00 0.00 51.96 53.21 2jr1 s ALA 11 Cb -0.17 -4.05 0.07 0.00 0.00 0.00 0.00 23.12 18.97 2jr1 s ALA 11 CO 0.54 -2.71 0.91 -0.51 0.00 0.00 0.00 175.76 173.98 2jr1 s LEU 12 N 7.81 3.07 0.54 0.00 2.01 -1.26 -4.87 118.68 125.98 2jr1 s LEU 12 Ca 0.94 0.03 -0.20 0.00 0.01 0.00 0.00 54.13 54.92 2jr1 s LEU 12 Cb -0.30 -2.70 -0.07 0.00 0.01 0.00 0.00 46.19 43.12 2jr1 s LEU 12 CO 0.35 -1.48 0.84 1.33 1.01 0.00 0.00 176.35 178.40 2jr1 n VAL 13 N -2.65 2.95 -2.44 -1.59 0.24 -1.26 -4.24 118.33 109.34 2jr1 n VAL 13 Ca 0.10 -0.50 -0.35 0.00 -2.04 0.00 0.00 64.34 61.55 2jr1 n VAL 13 Cb 0.60 -1.00 -0.02 0.00 -1.47 0.00 0.00 33.84 31.94 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 -2.36 3.77 -0.08 7.34 2.36 -0.15 -4.93 119.74 125.69 2jr1 s LYS 14 Ca 0.70 1.51 -0.30 0.00 -2.55 0.00 0.00 55.97 55.34 2jr1 s LYS 14 Cb -0.46 -2.22 -0.04 0.00 -1.05 0.00 0.00 37.83 34.06 2jr1 s LYS 14 CO 0.52 -0.48 1.34 -1.21 1.55 0.00 0.00 175.35 177.07 2jr1 s GLU 15 N -3.01 4.27 -0.08 4.03 0.41 -1.26 -4.22 118.70 118.84 2jr1 s GLU 15 Ca 0.66 1.83 0.02 0.00 -0.41 0.00 0.00 54.97 57.07 2jr1 s GLU 15 Cb -0.21 -3.70 0.01 0.00 -1.78 0.00 0.00 34.13 28.46 2jr1 s GLU 15 CO 0.25 -0.63 -0.14 0.08 -0.49 0.00 0.00 175.26 174.33 2jr1 s VAL 16 N 2.98 1.33 -0.06 2.63 1.01 -1.26 -5.03 120.40 122.00 2jr1 s VAL 16 Ca 0.60 -0.58 -0.23 0.00 0.00 0.00 0.00 61.98 61.77 2jr1 s VAL 16 Cb -0.27 -1.21 -0.18 0.00 0.00 0.00 0.00 36.38 34.72 2jr1 s VAL 16 CO 0.22 0.40 0.93 0.74 0.00 0.00 0.00 175.10 177.38 2jr1 h THR 17 N 5.94 1.15 -3.91 3.92 2.02 -1.95 -3.46 112.91 116.61 2jr1 h THR 17 Ca -0.29 -1.37 -0.47 0.00 0.77 0.00 0.00 66.41 65.05 2jr1 h THR 17 Cb 1.19 1.96 0.16 0.00 -1.74 0.00 0.00 68.15 69.72 2jr1 h THR 17 CO 0.47 0.31 0.20 -2.16 0.37 0.00 0.00 175.52 174.71 2jr1 s PRO 18 N -3.34 0.69 -1.24 6.66 0.04 -1.26 -4.91 135.00 131.64 2jr1 s PRO 18 Ca -0.14 0.79 -0.20 0.00 0.04 0.00 0.00 61.00 61.49 2jr1 s PRO 18 Cb 0.00 -1.75 -0.01 0.00 0.04 0.00 0.00 34.50 32.79 2jr1 s PRO 18 CO 0.55 -2.62 1.85 -0.35 0.04 0.00 0.00 177.00 176.47 2jr1 n PRO 19 N -4.14 2.43 -3.79 0.56 -0.04 -1.26 -4.85 135.00 123.91 2jr1 n PRO 19 Ca 0.06 -2.84 -0.10 0.00 -0.04 0.00 0.00 63.50 60.58 2jr1 n PRO 19 Cb 0.55 -3.57 -0.05 0.00 -0.04 0.00 0.00 33.50 30.39 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 5.18 1.19 -0.11 0.54 0.52 -1.26 -5.18 118.95 119.84 2jr1 s ARG 20 Ca 0.60 -0.92 -0.01 0.00 -0.52 0.00 0.00 55.73 54.88 2jr1 s ARG 20 Cb 0.03 0.45 0.03 0.00 0.52 0.00 0.00 34.95 35.98 2jr1 s ARG 20 CO 0.10 -0.47 -0.01 0.15 0.02 0.00 0.00 175.30 175.10 2jr1 s LYS 21 N -3.88 0.79 -0.33 3.54 -0.14 -1.26 -4.70 119.74 113.76 2jr1 s LYS 21 Ca 0.09 -0.07 -0.11 0.00 -1.36 0.00 0.00 55.97 54.52 2jr1 s LYS 21 Cb 0.01 -1.33 -0.01 0.00 -1.68 0.00 0.00 37.83 34.83 2jr1 s LYS 21 CO -0.05 -0.37 0.20 0.00 -0.76 0.00 0.00 175.35 174.37 2jr1 s ALA 22 N 1.90 3.40 -1.22 5.17 0.00 -1.26 -5.02 121.76 124.72 2jr1 s ALA 22 Ca 0.04 -1.40 -0.17 0.00 0.00 0.00 0.00 51.96 50.43 2jr1 s ALA 22 Cb -0.13 -2.54 0.11 0.00 0.00 0.00 0.00 23.12 20.55 2jr1 s ALA 22 CO -0.06 -0.96 1.57 -1.25 0.00 0.00 0.00 175.76 175.06 2jr1 s PRO 23 N 1.67 3.97 0.38 0.00 0.04 -1.26 -0.98 135.00 138.83 2jr1 s PRO 23 Ca 0.05 -2.12 0.08 0.00 0.04 0.00 0.00 61.00 59.04 2jr1 s PRO 23 Cb -0.17 -5.32 -0.02 0.00 0.04 0.00 0.00 34.50 29.03 2jr1 s PRO 23 CO 0.09 -2.05 0.37 0.45 0.04 0.00 0.00 177.00 175.90 2jr1 s SER 24 N 3.76 5.24 -0.68 6.66 0.15 -1.26 -4.98 113.70 122.59 2jr1 s SER 24 Ca 0.48 -0.60 -0.25 0.00 0.70 0.00 0.00 55.95 56.28 2jr1 s SER 24 Cb 0.01 -0.75 0.04 0.00 -1.71 0.00 0.00 66.02 63.61 2jr1 s SER 24 CO 0.03 -0.55 1.13 -0.54 1.20 0.00 0.00 173.24 174.51 2jr1 s LYS 25 N -4.11 3.20 -0.17 5.44 3.01 -1.23 -4.69 119.74 121.19 2jr1 s LYS 25 Ca 0.46 -0.40 -0.13 0.00 -1.01 0.00 0.00 55.97 54.89 2jr1 s LYS 25 Cb -0.05 -4.17 -0.05 0.00 -1.01 0.00 0.00 37.83 32.55 2jr1 s LYS 25 CO 0.28 -1.94 0.24 0.00 0.51 0.00 0.00 175.35 174.44 2jr1 s ALA 26 N 4.94 3.62 -0.09 5.17 0.00 -1.26 -1.46 121.76 132.69 2jr1 s ALA 26 Ca 0.31 -0.53 -0.03 0.00 0.00 0.00 0.00 51.96 51.70 2jr1 s ALA 26 Cb -0.11 -2.32 0.04 0.00 0.00 0.00 0.00 23.12 20.73 2jr1 s ALA 26 CO 0.15 0.12 0.08 0.15 0.00 0.00 0.00 175.76 176.25 2jr1 s LYS 27 N 0.43 -0.02 -0.31 0.00 3.01 -0.64 -3.34 119.74 118.86 2jr1 s LYS 27 Ca 0.14 0.21 -0.04 0.00 -1.01 0.00 0.00 55.97 55.27 2jr1 s LYS 27 Cb -0.12 -1.00 0.04 0.00 -1.01 0.00 0.00 37.83 35.74 2jr1 s LYS 27 CO 0.02 -0.46 0.04 1.03 0.51 0.00 0.00 175.35 176.49 2jr1 s ARG 28 N 2.16 2.61 -0.03 1.68 0.52 -1.23 -1.88 118.95 122.79 2jr1 s ARG 28 Ca 0.04 -1.16 -0.03 0.00 -0.52 0.00 0.00 55.73 54.06 2jr1 s ARG 28 Cb -0.14 -3.27 0.01 0.00 0.52 0.00 0.00 34.95 32.07 2jr1 s ARG 28 CO -0.05 -0.59 0.09 -1.21 0.02 0.00 0.00 175.30 173.56 2jr1 s GLU 29 N 1.34 0.10 -0.16 3.54 8.01 -1.23 -1.64 118.70 128.66 2jr1 s GLU 29 Ca -0.03 0.13 -0.21 0.00 0.01 0.00 0.00 54.97 54.87 2jr1 s GLU 29 Cb -0.19 0.04 -0.03 0.00 -4.31 0.00 0.00 34.13 29.64 2jr1 s GLU 29 CO 0.00 -0.02 0.63 0.00 0.01 0.00 0.00 175.26 175.88 2jr1 s ALA 30 N 0.10 3.50 0.00 5.21 0.00 -1.24 -1.76 121.76 127.56 2jr1 s ALA 30 Ca -0.00 -0.17 0.00 0.00 0.00 0.00 0.00 51.96 51.78 2jr1 s ALA 30 Cb -0.01 -2.94 0.00 0.00 0.00 0.00 0.00 23.12 20.17 2jr1 s ALA 30 CO -0.00 -0.41 0.00 -0.35 0.00 0.00 0.00 175.76 175.00 2jr1 n PRO 31 N 4.65 0.00 -5.12 0.00 -0.04 -1.26 -4.78 135.00 128.46 2jr1 n PRO 31 Ca -0.02 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.14 2jr1 n PRO 31 Cb 0.50 0.00 -0.17 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 1.52 1.89 0.47 0.52 -4.36 -1.26 -4.69 121.20 115.29 2jr1 s ILE 32 Ca 0.00 -0.94 0.26 0.00 -0.26 0.00 0.00 60.65 59.71 2jr1 s ILE 32 Cb 0.00 -1.63 0.29 0.00 1.25 0.00 0.00 42.46 42.37 2jr1 s ILE 32 CO 0.00 0.52 2.11 0.50 0.24 0.00 0.00 174.94 178.32 2jr1 h LYS 33 N 6.56 0.00 -0.54 0.37 1.63 -1.93 -2.50 116.57 120.17 2jr1 h LYS 33 Ca -0.24 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.53 2jr1 h LYS 33 Cb 1.21 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.82 2jr1 h LYS 33 CO 0.47 0.09 0.23 -0.92 -3.45 0.00 0.00 179.45 175.88 2jr1 h TYR 34 N 0.00 0.80 0.12 1.91 3.20 -1.98 -3.33 116.97 117.69 2jr1 h TYR 34 Ca -0.00 -0.05 -0.20 0.00 3.14 0.00 0.00 58.73 61.62 2jr1 h TYR 34 Cb 0.23 -0.24 0.01 0.00 1.54 0.00 0.00 36.73 38.27 2jr1 h TYR 34 CO 0.00 0.64 -0.94 2.35 -1.64 0.00 0.00 178.16 178.57 2jr1 h TRP 35 N 0.72 0.47 -3.82 -3.82 2.91 -2.00 -3.47 115.95 106.94 2jr1 h TRP 35 Ca 0.18 -0.35 -0.68 0.00 1.13 0.00 0.00 58.89 59.17 2jr1 h TRP 35 Cb 0.16 -0.02 -0.28 0.00 -0.51 0.00 0.00 29.16 28.52 2jr1 h TRP 35 CO 0.00 1.36 -0.82 -0.51 -1.03 0.00 0.00 178.44 177.45 2jr1 s LEU 36 N -7.81 2.45 0.00 0.65 1.43 -0.94 -5.04 118.68 109.41 2jr1 s LEU 36 Ca -0.16 -0.37 0.10 0.00 -1.03 0.00 0.00 54.13 52.67 2jr1 s LEU 36 Cb 0.02 -1.49 0.58 0.00 0.03 0.00 0.00 46.19 45.33 2jr1 s LEU 36 CO 0.80 0.25 1.00 -0.81 0.23 0.00 0.00 176.35 177.83 2jr1 n PRO 37 N 2.92 0.38 -3.59 1.29 -0.04 -1.26 -4.11 135.00 130.59 2jr1 n PRO 37 Ca -0.18 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.10 2jr1 n PRO 37 Cb 0.52 -1.40 -0.15 0.00 -0.04 0.00 0.00 33.50 32.43 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 -2.00 -0.16 -0.66 0.54 5.04 -1.26 -4.97 115.29 111.83 2jr1 s HIS 38 Ca 0.15 0.31 -0.23 0.00 -1.54 0.00 0.00 55.06 53.75 2jr1 s HIS 38 Cb 0.07 -0.37 0.06 0.00 0.04 0.00 0.00 32.58 32.38 2jr1 s HIS 38 CO 0.11 -0.44 1.00 -1.54 -2.34 0.00 0.00 174.74 171.53 2jr1 s SER 39 N 2.28 6.19 0.00 9.88 1.04 -1.26 -4.72 113.70 127.11 2jr1 s SER 39 Ca 0.04 -0.86 0.00 0.00 0.48 0.00 0.00 55.95 55.62 2jr1 s SER 39 Cb -0.14 -2.44 0.00 0.00 0.10 0.00 0.00 66.02 63.54 2jr1 s SER 39 CO -0.09 -1.47 0.00 0.61 0.98 0.00 0.00 173.24 173.28 2jr1 n GLY 40 N 5.31 0.28 3.15 7.32 0.00 -1.25 -4.58 105.19 115.43 2jr1 n GLY 40 Ca -0.02 0.27 -0.34 0.00 0.00 0.00 0.00 46.02 45.93 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 2.64 -0.50 4.61 0.00 -0.72 -4.93 121.76 122.86 2jr1 s ALA 41 Ca 0.00 -1.57 -0.27 0.00 0.00 0.00 0.00 51.96 50.13 2jr1 s ALA 41 Cb 0.00 -1.64 0.03 0.00 0.00 0.00 0.00 23.12 21.51 2jr1 s ALA 41 CO 0.00 -0.94 1.04 -0.08 0.00 0.00 0.00 175.76 175.78 2jr1 s THR 42 N 1.25 4.30 -0.42 0.00 -1.32 -1.26 -3.48 115.64 114.72 2jr1 s THR 42 Ca -0.03 0.85 -0.14 0.00 -1.21 0.00 0.00 61.69 61.17 2jr1 s THR 42 Cb -0.18 -4.55 0.03 0.00 -1.51 0.00 0.00 72.50 66.30 2jr1 s THR 42 CO -0.05 -1.01 0.30 0.86 -2.21 0.00 0.00 174.62 172.50 2jr1 s TRP 43 N 4.20 3.25 -0.80 9.09 -0.11 -0.78 -4.99 118.94 128.79 2jr1 s TRP 43 Ca 0.40 -0.78 -0.10 0.00 1.22 0.00 0.00 56.10 56.85 2jr1 s TRP 43 Cb -0.09 -2.69 0.21 0.00 -1.50 0.00 0.00 33.47 29.40 2jr1 s TRP 43 CO 0.27 -0.65 0.71 -1.12 -4.62 0.00 0.00 176.95 171.54 2jr1 s SER 44 N 1.85 6.33 0.00 5.86 0.01 -1.26 -1.63 113.70 124.87 2jr1 s SER 44 Ca 0.04 -2.90 0.00 0.00 1.31 0.00 0.00 55.95 54.40 2jr1 s SER 44 Cb -0.20 -2.09 0.00 0.00 0.21 0.00 0.00 66.02 63.94 2jr1 s SER 44 CO 0.08 -0.46 0.00 0.61 0.41 0.00 0.00 173.24 173.88 2jr1 n GLY 45 N 3.59 -1.44 3.78 3.44 0.00 -0.54 -4.88 105.19 109.15 2jr1 n GLY 45 Ca 0.14 0.51 -0.37 0.00 0.00 0.00 0.00 46.02 46.30 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 4.38 -1.15 1.61 3.00 -1.26 -3.50 118.95 122.03 2jr1 s ARG 46 Ca 0.00 1.46 -0.20 0.00 -1.00 0.00 0.00 55.73 56.00 2jr1 s ARG 46 Cb 0.00 -2.71 -0.05 0.00 0.00 0.00 0.00 34.95 32.20 2jr1 s ARG 46 CO 0.00 0.06 1.95 0.41 0.00 0.00 0.00 175.30 177.73 2jr1 n GLY 47 N 0.50 2.57 3.68 8.12 0.00 -1.26 -4.88 105.19 113.91 2jr1 n GLY 47 Ca 0.03 -1.23 -0.41 0.00 0.00 0.00 0.00 46.02 44.41 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 4.82 4.32 -0.07 1.61 2.36 -1.26 -5.06 119.74 126.45 2jr1 s LYS 48 Ca 0.57 0.95 -0.01 0.00 -2.55 0.00 0.00 55.97 54.93 2jr1 s LYS 48 Cb 0.08 -3.55 0.03 0.00 -1.05 0.00 0.00 37.83 33.34 2jr1 s LYS 48 CO 0.07 -0.24 -0.00 0.42 1.55 0.00 0.00 175.35 177.15 2jr1 s ILE 49 N 1.84 0.40 0.00 5.43 1.09 -1.26 -4.68 121.20 124.02 2jr1 s ILE 49 Ca 0.37 0.10 -0.04 0.00 -1.10 0.00 0.00 60.65 59.98 2jr1 s ILE 49 Cb -0.17 -0.54 -0.18 0.00 -1.06 0.00 0.00 42.46 40.51 2jr1 s ILE 49 CO 0.14 0.26 2.89 -0.81 -0.10 0.00 0.00 174.94 177.31 2jr1 n PRO 50 N 5.06 1.54 -0.02 2.79 -0.04 -1.26 -4.55 135.00 138.53 2jr1 n PRO 50 Ca -0.09 -0.65 -0.13 0.00 -0.04 0.00 0.00 63.50 62.59 2jr1 n PRO 50 Cb 0.50 -1.71 -0.10 0.00 -0.04 0.00 0.00 33.50 32.15 2jr1 n PRO 50 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 2jr1 h LYS 51 N 2.80 -0.05 0.00 0.54 1.63 -1.98 -0.30 116.57 119.22 2jr1 h LYS 51 Ca 0.12 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.90 2jr1 h LYS 51 Cb 1.23 0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 32.87 2jr1 h LYS 51 CO 0.19 0.58 -0.13 -1.00 -3.45 0.00 0.00 179.45 175.64 2jr1 h PRO 52 N -0.73 0.00 0.32 1.90 0.13 -1.97 -1.69 132.00 129.97 2jr1 h PRO 52 Ca -0.00 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.11 2jr1 h PRO 52 Cb 0.64 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.78 2jr1 h PRO 52 CO 0.01 0.13 -0.16 0.35 -0.23 0.00 0.00 178.00 178.10 2jr1 h PHE 53 N 0.00 -0.40 0.00 1.56 3.57 -1.89 -2.42 116.94 117.36 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 0.34 0.13 -0.00 0.00 2.79 0.00 0.00 35.95 39.21 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 -0.83 0.00 0.20 1.11 4.81 -1.13 0.12 114.58 118.85 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 29.72 2jr1 h GLU 54 CO 0.07 0.00 -0.10 0.00 -0.73 0.00 0.00 179.01 178.26 2jr1 h ALA 55 N 2.00 -0.27 -0.47 2.92 0.00 -1.44 -2.39 119.26 119.61 2jr1 h ALA 55 Ca -0.00 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 2jr1 h ALA 55 Cb 0.01 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2jr1 h ALA 55 CO 0.00 -0.45 -0.03 2.35 0.00 0.00 0.00 179.25 181.13 2jr1 h TRP 56 N -0.67 0.85 0.00 0.00 2.91 -1.20 0.24 115.95 118.08 2jr1 h TRP 56 Ca -0.03 -0.13 0.00 0.00 1.13 0.00 0.00 58.89 59.86 2jr1 h TRP 56 Cb 0.48 -0.23 0.00 0.00 -0.51 0.00 0.00 29.16 28.90 2jr1 h TRP 56 CO 0.04 0.80 0.00 -0.89 -1.03 0.00 0.00 178.44 177.37 2jr1 n ILE 57 N -4.20 0.10 -0.01 2.65 2.08 0.38 -3.39 119.36 116.98 2jr1 n ILE 57 Ca 0.02 0.02 -0.00 0.00 0.56 0.00 0.00 62.75 63.35 2jr1 n ILE 57 Cb 0.32 -0.90 -0.02 0.00 -0.75 0.00 0.00 39.64 38.29 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 -0.52 -0.10 0.24 7.39 0.00 -0.46 -3.56 105.19 108.18 2jr1 n GLY 58 Ca 0.06 -0.04 0.01 0.00 0.00 0.00 0.00 46.02 46.04 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 0.44 0.00 2.61 2.02 -0.60 -3.15 112.91 114.23 2jr1 h THR 59 Ca -0.04 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.12 2jr1 h THR 59 Cb 0.79 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 67.57 2jr1 h THR 59 CO 0.00 0.01 -0.91 0.00 0.37 0.00 0.00 175.52 175.00 2jr1 n ALA 60 N -2.90 1.93 0.28 6.16 0.00 -1.26 -4.88 120.51 119.84 2jr1 n ALA 60 Ca 0.09 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.65 2jr1 n ALA 60 Cb 0.35 0.28 0.80 0.00 0.00 0.00 0.00 19.45 20.87 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 1.65 -0.89 0.00 0.00 -1.76 -3.27 119.26 114.99 2jr1 h ALA 61 Ca 0.00 -0.02 0.22 0.00 0.00 0.00 0.00 54.91 55.11 2jr1 h ALA 61 Cb 0.91 -0.00 -0.13 0.00 0.00 0.00 0.00 17.79 18.57 2jr1 h ALA 61 CO 0.00 0.03 0.36 -0.92 0.00 0.00 0.00 179.25 178.71 2jr1 h TYR 62 N 0.00 0.58 -0.48 0.00 3.20 -1.60 0.91 116.97 119.58 2jr1 h TYR 62 Ca -0.00 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.89 2jr1 h TYR 62 Cb 0.05 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.18 2jr1 h TYR 62 CO 0.00 -0.09 0.20 0.00 -1.64 0.00 0.00 178.16 176.63 2jr1 h THR 63 N 0.35 1.17 -0.02 1.81 1.03 -1.86 -0.36 112.91 115.04 2jr1 h THR 63 Ca 0.56 -0.52 -0.21 0.00 -0.01 0.00 0.00 66.41 66.23 2jr1 h THR 63 Cb 1.08 0.59 0.02 0.00 -1.07 0.00 0.00 68.15 68.77 2jr1 h THR 63 CO -0.56 0.21 -0.81 0.00 -0.01 0.00 0.00 175.52 174.35 2jr1 h ALA 64 N 1.55 0.12 -0.74 0.00 0.00 -1.57 -3.34 119.26 115.28 2jr1 h ALA 64 Ca 0.17 -0.62 0.04 0.00 0.00 0.00 0.00 54.91 54.49 2jr1 h ALA 64 Cb 0.12 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 2jr1 h ALA 64 CO -0.02 0.52 0.46 2.35 0.00 0.00 0.00 179.25 182.57 2jr1 h TRP 65 N 0.18 0.86 0.00 0.00 7.01 -0.74 -3.00 115.95 120.26 2jr1 h TRP 65 Ca -0.10 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 60.92 2jr1 h TRP 65 Cb 1.48 -0.28 -0.00 0.00 -2.10 0.00 0.00 29.16 28.26 2jr1 h TRP 65 CO 0.12 0.48 -0.05 0.87 -2.79 0.00 0.00 178.44 177.08 2jr1 h LYS 66 N 0.89 0.00 -0.41 2.65 1.79 -1.18 -0.48 116.57 119.83 2jr1 h LYS 66 Ca 0.30 0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 58.64 2jr1 h LYS 66 Cb 0.05 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.69 2jr1 h LYS 66 CO -0.12 0.05 -0.28 0.00 -1.08 0.00 0.00 179.45 178.02 2jr1 h ALA 67 N 1.95 0.73 0.02 3.86 0.00 -1.65 -3.39 119.26 120.79 2jr1 h ALA 67 Ca -0.00 -0.41 -0.09 0.00 0.00 0.00 0.00 54.91 54.41 2jr1 h ALA 67 Cb 0.09 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 17.74 2jr1 h ALA 67 CO 0.01 0.66 -0.38 0.87 0.00 0.00 0.00 179.25 180.41 2jr1 h LYS 68 N 0.75 0.21 -5.43 0.00 1.57 -1.28 -3.47 116.57 108.92 2jr1 h LYS 68 Ca 0.09 -0.26 -0.43 0.00 -1.87 0.00 0.00 60.65 58.18 2jr1 h LYS 68 Cb 0.83 0.08 -0.14 0.00 0.08 0.00 0.00 32.23 33.08 2jr1 h LYS 68 CO 0.07 1.02 -0.72 -1.01 -0.57 0.00 0.00 179.45 178.24 2jr1 s HIS 69 N -2.90 1.65 0.00 -1.35 3.76 -0.25 -5.13 115.29 111.07 2jr1 s HIS 69 Ca -0.15 -0.65 0.00 0.00 -0.15 0.00 0.00 55.06 54.11 2jr1 s HIS 69 Cb 0.01 -0.81 0.00 0.00 1.11 0.00 0.00 32.58 32.89 2jr1 s HIS 69 CO 0.76 0.27 0.00 -0.35 -0.85 0.00 0.00 174.74 174.58 2jr1 n PRO 70 N -0.37 0.00 -2.78 8.40 -0.04 -1.26 -3.93 135.00 135.02 2jr1 n PRO 70 Ca -0.08 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.96 2jr1 n PRO 70 Cb 0.61 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 34.08 2jr1 n PRO 70 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2jr1 n ASP 71 N 0.00 6.75 -0.04 3.54 8.00 -1.26 -4.66 116.55 128.88 2jr1 n ASP 71 Ca 0.00 -3.48 -0.00 0.00 0.71 0.00 0.00 54.79 52.02 2jr1 n ASP 71 Cb 0.00 -1.25 -0.00 0.00 -0.02 0.00 0.00 41.12 39.85 2jr1 n ASP 71 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 2jr1 h GLU 72 N 4.99 0.00 -6.71 -1.24 4.81 -1.93 -3.46 114.58 111.04 2jr1 h GLU 72 Ca 0.35 0.00 -0.52 0.00 -0.13 0.00 0.00 59.36 59.06 2jr1 h GLU 72 Cb 0.50 0.00 0.03 0.00 0.63 0.00 0.00 28.75 29.91 2jr1 h GLU 72 CO 1.31 0.00 0.61 0.21 -0.73 0.00 0.00 179.01 180.41 2jr1 s LYS 73 N -1.43 4.44 0.27 1.92 2.20 -1.26 -3.93 119.74 121.95 2jr1 s LYS 73 Ca -0.00 2.00 -0.30 0.00 -0.36 0.00 0.00 55.97 57.32 2jr1 s LYS 73 Cb 0.00 -3.19 -0.10 0.00 -1.51 0.00 0.00 37.83 33.03 2jr1 s LYS 73 CO 0.00 -0.15 1.36 0.12 -0.36 0.00 0.00 175.35 176.32 2jr1 s PHE 74 N -0.23 3.08 -1.20 4.03 5.36 -1.26 -4.91 117.98 122.85 2jr1 s PHE 74 Ca 0.53 1.21 -0.21 0.00 -0.96 0.00 0.00 56.93 57.51 2jr1 s PHE 74 Cb -0.35 -3.72 -0.04 0.00 -0.34 0.00 0.00 43.02 38.57 2jr1 s PHE 74 CO 0.40 -2.20 1.89 -0.35 -1.46 0.00 0.00 175.22 173.49 2jr1 n PRO 75 N 1.85 2.17 -3.41 10.12 -0.04 -1.26 -4.95 135.00 139.48 2jr1 n PRO 75 Ca 0.04 -2.68 -0.38 0.00 -0.04 0.00 0.00 63.50 60.44 2jr1 n PRO 75 Cb 0.41 -3.56 -0.06 0.00 -0.04 0.00 0.00 33.50 30.26 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 7.88 3.59 0.24 0.55 0.00 -1.26 -5.11 121.76 127.65 2jr1 s ALA 76 Ca 0.62 -0.20 0.07 0.00 0.00 0.00 0.00 51.96 52.44 2jr1 s ALA 76 Cb 0.03 -2.52 -0.04 0.00 0.00 0.00 0.00 23.12 20.60 2jr1 s ALA 76 CO 0.11 0.25 0.22 -0.59 0.00 0.00 0.00 175.76 175.74 2jr1 s PHE 77 N -0.27 3.17 -0.60 0.00 -0.71 -1.26 -4.34 117.98 113.97 2jr1 s PHE 77 Ca 0.25 -0.09 -0.28 0.00 -1.04 0.00 0.00 56.93 55.77 2jr1 s PHE 77 Cb -0.16 -1.43 0.02 0.00 -1.21 0.00 0.00 43.02 40.24 2jr1 s PHE 77 CO 0.12 0.51 1.33 -1.25 -1.34 0.00 0.00 175.22 174.59 2jr1 s PRO 78 N -3.82 3.33 0.00 1.99 0.04 -1.26 -4.75 135.00 130.53 2jr1 s PRO 78 Ca 0.33 0.28 0.00 0.00 0.04 0.00 0.00 61.00 61.65 2jr1 s PRO 78 Cb -0.08 -4.11 0.00 0.00 0.04 0.00 0.00 34.50 30.35 2jr1 s PRO 78 CO 0.25 -1.91 0.00 0.41 0.04 0.00 0.00 177.00 175.79