#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 -3.57 4.37 -0.73 -2.04 -3.42 115.58 109.77 2jr1 h ASN 2 Ca 0.00 -0.14 -0.68 0.00 1.87 0.00 0.00 56.30 57.35 2jr1 h ASN 2 Cb 0.00 0.11 -0.18 0.00 0.27 0.00 0.00 38.32 38.52 2jr1 h ASN 2 CO 0.00 -0.03 -0.22 0.54 -0.37 0.00 0.00 177.43 177.36 2jr1 s VAL 3 N -4.37 5.10 -0.07 2.57 0.11 -1.26 -4.92 120.40 117.56 2jr1 s VAL 3 Ca -0.13 -0.22 -0.03 0.00 -2.93 0.00 0.00 61.98 58.67 2jr1 s VAL 3 Cb 0.02 -3.99 0.04 0.00 -1.53 0.00 0.00 36.38 30.92 2jr1 s VAL 3 CO 0.48 -0.34 0.13 -0.75 -3.33 0.00 0.00 175.10 171.30 2jr1 s LYS 4 N 2.13 0.01 0.84 1.54 2.20 -1.26 -5.14 119.74 120.06 2jr1 s LYS 4 Ca 0.12 0.49 -0.11 0.00 -0.36 0.00 0.00 55.97 56.12 2jr1 s LYS 4 Cb -0.17 -0.32 0.10 0.00 -1.51 0.00 0.00 37.83 35.93 2jr1 s LYS 4 CO 0.13 -0.29 1.13 -0.65 -0.36 0.00 0.00 175.35 175.30 2jr1 s GLN 5 N 2.12 1.62 0.62 4.03 1.11 -1.26 -4.90 119.66 123.00 2jr1 s GLN 5 Ca 0.02 1.40 -0.16 0.00 0.01 0.00 0.00 55.36 56.63 2jr1 s GLN 5 Cb -0.12 -1.81 -0.02 0.00 -1.01 0.00 0.00 33.01 30.05 2jr1 s GLN 5 CO -0.05 -2.16 1.08 0.15 0.01 0.00 0.00 175.29 174.33 2jr1 s LYS 6 N -4.71 3.10 -0.24 2.91 -0.14 -1.25 -5.01 119.74 114.39 2jr1 s LYS 6 Ca 0.65 1.31 -0.02 0.00 -1.36 0.00 0.00 55.97 56.54 2jr1 s LYS 6 Cb -0.21 -2.00 0.12 0.00 -1.68 0.00 0.00 37.83 34.07 2jr1 s LYS 6 CO 0.56 -1.00 0.32 -1.12 -0.76 0.00 0.00 175.35 173.34 2jr1 s SER 7 N -2.64 0.86 -0.35 2.83 0.01 -1.26 -5.00 113.70 108.15 2jr1 s SER 7 Ca 0.66 -0.13 -0.03 0.00 1.31 0.00 0.00 55.95 57.76 2jr1 s SER 7 Cb -0.18 0.78 0.07 0.00 0.21 0.00 0.00 66.02 66.89 2jr1 s SER 7 CO 0.38 -0.33 0.09 -1.61 0.41 0.00 0.00 173.24 172.19 2jr1 s GLU 8 N 2.44 2.31 -0.01 12.44 2.02 -1.25 -3.69 118.70 132.96 2jr1 s GLU 8 Ca 0.10 -1.45 0.05 0.00 0.02 0.00 0.00 54.97 53.69 2jr1 s GLU 8 Cb -0.15 -3.38 -0.03 0.00 0.10 0.00 0.00 34.13 30.67 2jr1 s GLU 8 CO -0.19 -0.79 -0.16 0.42 0.02 0.00 0.00 175.26 174.56 2jr1 s ILE 9 N 1.24 2.92 0.83 -1.63 1.09 -0.29 -5.02 121.20 120.34 2jr1 s ILE 9 Ca 0.00 -0.91 -0.11 0.00 -1.10 0.00 0.00 60.65 58.54 2jr1 s ILE 9 Cb -0.21 -2.17 0.09 0.00 -1.06 0.00 0.00 42.46 39.11 2jr1 s ILE 9 CO -0.01 0.50 1.09 -0.89 -0.10 0.00 0.00 174.94 175.53 2jr1 s THR 10 N -0.80 3.01 0.62 2.92 2.01 -1.26 -3.23 115.64 118.90 2jr1 s THR 10 Ca 0.13 0.33 -0.19 0.00 0.31 0.00 0.00 61.69 62.27 2jr1 s THR 10 Cb -0.11 -2.78 -0.02 0.00 0.01 0.00 0.00 72.50 69.60 2jr1 s THR 10 CO 0.02 -0.43 1.29 0.00 -0.69 0.00 0.00 174.62 174.82 2jr1 s ALA 11 N -2.90 2.50 0.15 7.40 0.00 -1.08 -4.83 121.76 123.00 2jr1 s ALA 11 Ca 0.62 1.21 0.07 0.00 0.00 0.00 0.00 51.96 53.86 2jr1 s ALA 11 Cb -0.18 -3.54 -0.04 0.00 0.00 0.00 0.00 23.12 19.36 2jr1 s ALA 11 CO 0.57 -1.48 -0.15 -1.17 0.00 0.00 0.00 175.76 173.52 2jr1 s LEU 12 N -4.14 2.45 0.35 0.00 2.96 -1.26 -4.97 118.68 114.07 2jr1 s LEU 12 Ca 0.80 -0.88 -0.28 0.00 -0.22 0.00 0.00 54.13 53.55 2jr1 s LEU 12 Cb -0.37 -0.66 -0.10 0.00 0.50 0.00 0.00 46.19 45.57 2jr1 s LEU 12 CO 0.40 -0.12 1.28 0.68 -1.32 0.00 0.00 176.35 177.27 2jr1 s VAL 13 N -2.32 2.77 0.88 1.68 -7.23 -1.26 -4.36 120.40 110.56 2jr1 s VAL 13 Ca 0.14 0.75 -0.11 0.00 -1.81 0.00 0.00 61.98 60.95 2jr1 s VAL 13 Cb -0.04 -3.47 0.12 0.00 0.56 0.00 0.00 36.38 33.55 2jr1 s VAL 13 CO 0.05 0.16 1.10 -1.59 -0.31 0.00 0.00 175.10 174.50 2jr1 s LYS 14 N -1.91 1.38 -0.42 4.82 -2.85 -0.91 -4.90 119.74 114.94 2jr1 s LYS 14 Ca 0.51 1.10 -0.25 0.00 -1.00 0.00 0.00 55.97 56.33 2jr1 s LYS 14 Cb -0.38 -1.80 0.02 0.00 -2.06 0.00 0.00 37.83 33.61 2jr1 s LYS 14 CO 0.50 -2.24 0.91 -1.21 0.10 0.00 0.00 175.35 173.41 2jr1 s GLU 15 N -4.82 3.65 -0.06 1.78 8.01 -1.26 -4.71 118.70 121.28 2jr1 s GLU 15 Ca 0.64 0.30 -0.06 0.00 0.01 0.00 0.00 54.97 55.86 2jr1 s GLU 15 Cb -0.19 -3.88 0.02 0.00 -4.31 0.00 0.00 34.13 25.77 2jr1 s GLU 15 CO 0.57 -1.10 0.17 0.08 0.01 0.00 0.00 175.26 174.99 2jr1 s VAL 16 N 3.59 -0.00 -0.03 2.63 1.01 -1.26 -5.11 120.40 121.23 2jr1 s VAL 16 Ca 0.37 0.00 -0.18 0.00 0.00 0.00 0.00 61.98 62.17 2jr1 s VAL 16 Cb -0.11 -0.24 -0.10 0.00 0.00 0.00 0.00 36.38 35.92 2jr1 s VAL 16 CO 0.23 0.00 0.76 0.74 0.00 0.00 0.00 175.10 176.83 2jr1 h THR 17 N 4.91 0.10 -4.29 3.92 2.02 -1.95 -3.45 112.91 114.16 2jr1 h THR 17 Ca -0.26 -0.59 -0.52 0.00 0.77 0.00 0.00 66.41 65.82 2jr1 h THR 17 Cb 1.20 0.16 0.13 0.00 -1.74 0.00 0.00 68.15 67.90 2jr1 h THR 17 CO 0.40 0.02 0.32 -2.16 0.37 0.00 0.00 175.52 174.47 2jr1 s PRO 18 N -3.62 2.20 -1.14 6.66 0.04 -1.26 -4.92 135.00 132.96 2jr1 s PRO 18 Ca -0.10 1.24 -0.22 0.00 0.04 0.00 0.00 61.00 61.97 2jr1 s PRO 18 Cb 0.01 -1.89 -0.00 0.00 0.04 0.00 0.00 34.50 32.66 2jr1 s PRO 18 CO 0.30 -1.69 1.78 -1.25 0.04 0.00 0.00 177.00 176.18 2jr1 s PRO 19 N -4.76 3.20 -0.12 0.56 0.04 -1.26 -4.87 135.00 127.78 2jr1 s PRO 19 Ca 0.63 -1.27 -0.05 0.00 0.04 0.00 0.00 61.00 60.35 2jr1 s PRO 19 Cb -0.18 -5.33 0.06 0.00 0.04 0.00 0.00 34.50 29.09 2jr1 s PRO 19 CO 0.54 -2.98 0.27 0.50 0.04 0.00 0.00 177.00 175.37 2jr1 s ARG 20 N 5.56 0.19 -0.09 4.56 3.52 -1.26 -5.16 118.95 126.26 2jr1 s ARG 20 Ca 0.60 0.66 0.01 0.00 -0.13 0.00 0.00 55.73 56.86 2jr1 s ARG 20 Cb -0.00 -0.07 0.02 0.00 -1.56 0.00 0.00 34.95 33.34 2jr1 s ARG 20 CO 0.04 -0.22 -0.10 0.15 -0.81 0.00 0.00 175.30 174.36 2jr1 s LYS 21 N 1.86 1.62 0.12 5.12 -0.14 -1.26 -4.65 119.74 122.40 2jr1 s LYS 21 Ca -0.04 -0.33 0.05 0.00 -1.36 0.00 0.00 55.97 54.30 2jr1 s LYS 21 Cb -0.11 -1.53 -0.04 0.00 -1.68 0.00 0.00 37.83 34.47 2jr1 s LYS 21 CO -0.09 -0.15 0.03 0.00 -0.76 0.00 0.00 175.35 174.38 2jr1 s ALA 22 N 1.27 3.33 -1.31 5.17 0.00 -1.26 -4.88 121.76 124.08 2jr1 s ALA 22 Ca -0.03 -1.18 -0.17 0.00 0.00 0.00 0.00 51.96 50.58 2jr1 s ALA 22 Cb -0.14 -1.19 0.02 0.00 0.00 0.00 0.00 23.12 21.81 2jr1 s ALA 22 CO -0.04 0.62 2.03 -0.35 0.00 0.00 0.00 175.76 178.03 2jr1 n PRO 23 N 0.26 2.70 -2.33 0.00 -0.04 -1.26 -2.15 135.00 132.18 2jr1 n PRO 23 Ca -0.10 -2.69 -0.41 0.00 -0.04 0.00 0.00 63.50 60.26 2jr1 n PRO 23 Cb 0.53 -3.33 -0.03 0.00 -0.04 0.00 0.00 33.50 30.63 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 3.92 7.03 -1.03 3.54 1.04 -1.26 -4.96 113.70 121.98 2jr1 s SER 24 Ca 0.52 2.26 -0.23 0.00 0.48 0.00 0.00 55.95 58.98 2jr1 s SER 24 Cb 0.10 -2.60 -0.00 0.00 0.10 0.00 0.00 66.02 63.62 2jr1 s SER 24 CO -0.00 -0.43 1.74 -0.54 0.98 0.00 0.00 173.24 174.99 2jr1 s LYS 25 N -0.06 3.10 -0.19 4.02 -0.14 -1.20 -4.50 119.74 120.77 2jr1 s LYS 25 Ca 0.55 -0.93 -0.06 0.00 -1.36 0.00 0.00 55.97 54.17 2jr1 s LYS 25 Cb -0.33 -5.26 -0.03 0.00 -1.68 0.00 0.00 37.83 30.53 2jr1 s LYS 25 CO 0.36 -2.89 0.04 0.00 -0.76 0.00 0.00 175.35 172.10 2jr1 s ALA 26 N 7.61 3.23 -0.03 5.17 0.00 -1.26 -2.38 121.76 134.10 2jr1 s ALA 26 Ca 0.59 -0.87 0.01 0.00 0.00 0.00 0.00 51.96 51.69 2jr1 s ALA 26 Cb -0.02 -1.86 0.02 0.00 0.00 0.00 0.00 23.12 21.26 2jr1 s ALA 26 CO -0.01 0.01 -0.02 0.15 0.00 0.00 0.00 175.76 175.88 2jr1 s LYS 27 N 0.71 0.52 -0.31 0.00 3.01 -0.77 -2.62 119.74 120.29 2jr1 s LYS 27 Ca 0.02 -0.03 0.01 0.00 -1.01 0.00 0.00 55.97 54.96 2jr1 s LYS 27 Cb -0.14 -0.61 0.09 0.00 -1.01 0.00 0.00 37.83 36.17 2jr1 s LYS 27 CO 0.02 -0.08 0.06 1.03 0.51 0.00 0.00 175.35 176.89 2jr1 s ARG 28 N 0.83 1.10 -0.05 1.68 0.52 -1.20 -1.32 118.95 120.51 2jr1 s ARG 28 Ca -0.09 -1.33 -0.05 0.00 -0.52 0.00 0.00 55.73 53.73 2jr1 s ARG 28 Cb -0.13 -2.50 0.01 0.00 0.52 0.00 0.00 34.95 32.86 2jr1 s ARG 28 CO -0.01 -0.91 0.15 -1.21 0.02 0.00 0.00 175.30 173.34 2jr1 s GLU 29 N 1.34 0.21 -0.17 3.54 8.01 -1.12 -1.14 118.70 129.39 2jr1 s GLU 29 Ca 0.08 0.12 -0.19 0.00 0.01 0.00 0.00 54.97 54.99 2jr1 s GLU 29 Cb -0.18 0.10 -0.03 0.00 -4.31 0.00 0.00 34.13 29.70 2jr1 s GLU 29 CO -0.16 -0.03 0.52 0.00 0.01 0.00 0.00 175.26 175.60 2jr1 s ALA 30 N -0.12 3.51 0.00 5.21 0.00 -1.24 -1.50 121.76 127.62 2jr1 s ALA 30 Ca -0.02 -0.29 0.00 0.00 0.00 0.00 0.00 51.96 51.65 2jr1 s ALA 30 Cb -0.02 -2.78 0.00 0.00 0.00 0.00 0.00 23.12 20.32 2jr1 s ALA 30 CO 0.00 -0.29 0.00 -0.35 0.00 0.00 0.00 175.76 175.13 2jr1 n PRO 31 N 4.38 0.00 -4.25 0.00 -0.04 -1.26 -4.82 135.00 129.02 2jr1 n PRO 31 Ca -0.05 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.23 2jr1 n PRO 31 Cb 0.51 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.82 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 0.52 0.57 0.21 0.52 -4.36 -1.26 -4.69 121.20 112.72 2jr1 s ILE 32 Ca 0.00 -0.26 0.17 0.00 -0.26 0.00 0.00 60.65 60.29 2jr1 s ILE 32 Cb 0.00 -0.51 0.10 0.00 1.25 0.00 0.00 42.46 43.30 2jr1 s ILE 32 CO 0.00 0.18 1.72 0.50 0.24 0.00 0.00 174.94 177.58 2jr1 h LYS 33 N 6.29 0.00 -0.81 0.37 1.63 -1.92 -2.69 116.57 119.44 2jr1 h LYS 33 Ca -0.32 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.45 2jr1 h LYS 33 Cb 1.18 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 32.77 2jr1 h LYS 33 CO 0.49 0.42 0.37 -0.92 -3.45 0.00 0.00 179.45 176.36 2jr1 h TYR 34 N 0.00 1.18 0.07 1.91 3.20 -1.97 -3.32 116.97 118.04 2jr1 h TYR 34 Ca -0.00 -0.07 -0.15 0.00 3.14 0.00 0.00 58.73 61.65 2jr1 h TYR 34 Cb 0.91 -0.36 0.00 0.00 1.54 0.00 0.00 36.73 38.82 2jr1 h TYR 34 CO 0.00 0.87 -0.72 2.35 -1.64 0.00 0.00 178.16 179.01 2jr1 h TRP 35 N 1.15 0.25 -3.89 -3.82 2.91 -2.01 -3.48 115.95 107.06 2jr1 h TRP 35 Ca 0.27 -0.18 -0.68 0.00 1.13 0.00 0.00 58.89 59.43 2jr1 h TRP 35 Cb 0.15 -0.01 -0.25 0.00 -0.51 0.00 0.00 29.16 28.54 2jr1 h TRP 35 CO 0.01 1.28 -0.78 -0.51 -1.03 0.00 0.00 178.44 177.42 2jr1 s LEU 36 N -7.93 2.67 0.00 0.65 1.43 -1.01 -5.05 118.68 109.44 2jr1 s LEU 36 Ca -0.19 -0.25 0.11 0.00 -1.03 0.00 0.00 54.13 52.77 2jr1 s LEU 36 Cb 0.01 -1.55 0.58 0.00 0.03 0.00 0.00 46.19 45.26 2jr1 s LEU 36 CO 0.73 0.30 1.22 -0.81 0.23 0.00 0.00 176.35 178.02 2jr1 n PRO 37 N 2.62 0.20 -3.73 1.29 -0.04 -1.26 -4.20 135.00 129.88 2jr1 n PRO 37 Ca -0.17 0.14 -0.25 0.00 -0.04 0.00 0.00 63.50 63.18 2jr1 n PRO 37 Cb 0.52 -1.50 -0.17 0.00 -0.04 0.00 0.00 33.50 32.31 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 -2.45 0.68 -0.89 0.54 5.04 -1.26 -4.99 115.29 111.97 2jr1 s HIS 38 Ca 0.12 -0.41 -0.17 0.00 -1.54 0.00 0.00 55.06 53.06 2jr1 s HIS 38 Cb 0.07 -0.84 0.16 0.00 0.04 0.00 0.00 32.58 32.01 2jr1 s HIS 38 CO 0.16 -0.45 0.99 -1.12 -2.34 0.00 0.00 174.74 171.99 2jr1 s SER 39 N 1.97 6.66 0.00 9.88 0.01 -1.26 -4.70 113.70 126.27 2jr1 s SER 39 Ca 0.02 -2.25 0.00 0.00 1.31 0.00 0.00 55.95 55.03 2jr1 s SER 39 Cb -0.15 -2.33 0.00 0.00 0.21 0.00 0.00 66.02 63.75 2jr1 s SER 39 CO -0.07 -0.90 0.00 0.61 0.41 0.00 0.00 173.24 173.30 2jr1 n GLY 40 N 4.96 -0.20 3.32 3.44 0.00 -1.25 -4.59 105.19 110.87 2jr1 n GLY 40 Ca 0.20 0.34 -0.35 0.00 0.00 0.00 0.00 46.02 46.21 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 2.81 -0.44 4.61 0.00 -0.56 -4.90 121.76 123.28 2jr1 s ALA 41 Ca 0.00 -1.14 -0.22 0.00 0.00 0.00 0.00 51.96 50.60 2jr1 s ALA 41 Cb 0.00 -1.68 0.02 0.00 0.00 0.00 0.00 23.12 21.47 2jr1 s ALA 41 CO 0.00 -0.38 0.72 -0.08 0.00 0.00 0.00 175.76 176.02 2jr1 s THR 42 N 1.39 4.73 -0.32 0.00 -1.32 -1.26 -2.77 115.64 116.09 2jr1 s THR 42 Ca 0.05 0.31 -0.02 0.00 -1.21 0.00 0.00 61.69 60.82 2jr1 s THR 42 Cb -0.14 -4.27 0.06 0.00 -1.51 0.00 0.00 72.50 66.64 2jr1 s THR 42 CO -0.03 -0.66 0.03 0.86 -2.21 0.00 0.00 174.62 172.62 2jr1 s TRP 43 N 3.08 3.33 -0.74 9.09 -0.11 -0.43 -5.00 118.94 128.16 2jr1 s TRP 43 Ca 0.27 -1.99 -0.16 0.00 1.22 0.00 0.00 56.10 55.43 2jr1 s TRP 43 Cb -0.13 -2.30 0.17 0.00 -1.50 0.00 0.00 33.47 29.70 2jr1 s TRP 43 CO 0.21 -0.83 0.76 0.45 -4.62 0.00 0.00 176.95 172.91 2jr1 s SER 44 N 1.32 6.52 0.00 5.86 0.15 -1.26 -1.84 113.70 124.46 2jr1 s SER 44 Ca -0.03 -2.18 0.00 0.00 0.70 0.00 0.00 55.95 54.44 2jr1 s SER 44 Cb -0.20 -2.26 0.00 0.00 -1.71 0.00 0.00 66.02 61.85 2jr1 s SER 44 CO -0.02 -0.81 0.00 0.61 1.20 0.00 0.00 173.24 174.23 2jr1 n GLY 45 N 4.70 -0.70 3.78 9.45 0.00 -1.00 -4.92 105.19 116.49 2jr1 n GLY 45 Ca 0.05 0.28 -0.38 0.00 0.00 0.00 0.00 46.02 45.98 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 4.61 -1.16 1.61 3.00 -1.25 -3.26 118.95 122.49 2jr1 s ARG 46 Ca 0.00 1.26 -0.20 0.00 -1.00 0.00 0.00 55.73 55.79 2jr1 s ARG 46 Cb 0.00 -3.07 -0.04 0.00 0.00 0.00 0.00 34.95 31.84 2jr1 s ARG 46 CO 0.00 0.44 1.92 0.41 0.00 0.00 0.00 175.30 178.07 2jr1 n GLY 47 N 1.11 2.27 3.65 8.12 0.00 -1.26 -4.78 105.19 114.30 2jr1 n GLY 47 Ca -0.02 -1.15 -0.42 0.00 0.00 0.00 0.00 46.02 44.43 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 5.07 4.20 -0.22 1.61 0.00 -1.26 -5.06 119.74 124.08 2jr1 s LYS 48 Ca 0.59 0.92 0.01 0.00 0.00 0.00 0.00 55.97 57.48 2jr1 s LYS 48 Cb 0.06 -3.63 0.06 0.00 0.00 0.00 0.00 37.83 34.32 2jr1 s LYS 48 CO 0.09 -0.47 -0.05 0.42 0.00 0.00 0.00 175.35 175.33 2jr1 s ILE 49 N 2.66 1.47 -0.08 3.79 1.09 -1.26 -4.77 121.20 124.09 2jr1 s ILE 49 Ca 0.35 -1.13 0.00 0.00 -1.10 0.00 0.00 60.65 58.77 2jr1 s ILE 49 Cb -0.16 -1.72 0.07 0.00 -1.06 0.00 0.00 42.46 39.60 2jr1 s ILE 49 CO 0.08 -0.06 1.71 -0.81 -0.10 0.00 0.00 174.94 175.76 2jr1 n PRO 50 N 4.70 1.22 -0.04 2.79 -0.04 -1.26 -4.43 135.00 137.95 2jr1 n PRO 50 Ca -0.12 -0.45 -0.14 0.00 -0.04 0.00 0.00 63.50 62.75 2jr1 n PRO 50 Cb 0.45 -1.18 -0.11 0.00 -0.04 0.00 0.00 33.50 32.62 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 0.80 0.07 0.00 0.54 1.79 -1.97 0.74 116.57 118.54 2jr1 h LYS 51 Ca 0.09 -0.07 -0.01 0.00 -2.18 0.00 0.00 60.65 58.48 2jr1 h LYS 51 Cb 1.07 0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 31.74 2jr1 h LYS 51 CO 0.20 0.80 -0.03 -1.00 -1.08 0.00 0.00 179.45 178.35 2jr1 h PRO 52 N -0.63 0.00 0.42 3.15 0.13 -1.97 -0.52 132.00 132.57 2jr1 h PRO 52 Ca -0.01 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.10 2jr1 h PRO 52 Cb 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 2jr1 h PRO 52 CO 0.02 0.03 -0.20 0.35 -0.23 0.00 0.00 178.00 177.96 2jr1 h PHE 53 N 0.00 -0.52 -0.43 1.56 3.57 -1.87 -2.33 116.94 116.92 2jr1 h PHE 53 Ca -0.00 -0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.59 2jr1 h PHE 53 Cb 0.06 0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.95 2jr1 h PHE 53 CO 0.00 -0.33 0.30 1.49 -2.23 0.00 0.00 178.31 177.54 2jr1 h GLU 54 N -1.05 0.12 0.06 1.11 4.81 -0.84 0.21 114.58 119.01 2jr1 h GLU 54 Ca -0.06 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.16 2jr1 h GLU 54 Cb 0.43 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.79 2jr1 h GLU 54 CO 0.09 0.08 -0.03 0.00 -0.73 0.00 0.00 179.01 178.43 2jr1 h ALA 55 N 1.79 -0.08 -0.63 2.92 0.00 -1.23 -2.50 119.26 119.52 2jr1 h ALA 55 Ca 0.20 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 2jr1 h ALA 55 Cb 0.62 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 2jr1 h ALA 55 CO -0.02 -0.32 0.16 2.35 0.00 0.00 0.00 179.25 181.42 2jr1 h TRP 56 N -0.53 1.03 0.00 0.00 2.91 -1.10 0.17 115.95 118.43 2jr1 h TRP 56 Ca -0.01 -0.11 0.00 0.00 1.13 0.00 0.00 58.89 59.91 2jr1 h TRP 56 Cb 0.46 -0.30 0.00 0.00 -0.51 0.00 0.00 29.16 28.82 2jr1 h TRP 56 CO 0.07 0.84 0.00 -0.89 -1.03 0.00 0.00 178.44 177.43 2jr1 n ILE 57 N -4.25 0.11 -0.02 2.65 2.08 0.71 -3.45 119.36 117.19 2jr1 n ILE 57 Ca 0.05 0.03 -0.01 0.00 0.56 0.00 0.00 62.75 63.37 2jr1 n ILE 57 Cb 0.24 -0.89 -0.03 0.00 -0.75 0.00 0.00 39.64 38.21 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 -0.48 -0.17 0.29 7.39 0.00 -0.50 -3.55 105.19 108.18 2jr1 n GLY 58 Ca 0.06 -0.06 0.02 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 0.22 0.00 2.61 2.02 -0.74 -3.07 112.91 113.96 2jr1 h THR 59 Ca -0.08 -0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.10 2jr1 h THR 59 Cb 1.07 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 2jr1 h THR 59 CO 0.00 0.00 -0.93 0.00 0.37 0.00 0.00 175.52 174.97 2jr1 n ALA 60 N -3.27 1.95 0.24 6.16 0.00 -1.26 -4.88 120.51 119.44 2jr1 n ALA 60 Ca 0.11 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.70 2jr1 n ALA 60 Cb 0.40 0.30 0.84 0.00 0.00 0.00 0.00 19.45 20.99 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 1.74 -0.94 0.00 0.00 -1.78 -3.23 119.26 115.05 2jr1 h ALA 61 Ca 0.00 -0.00 0.24 0.00 0.00 0.00 0.00 54.91 55.15 2jr1 h ALA 61 Cb 0.93 0.01 -0.13 0.00 0.00 0.00 0.00 17.79 18.60 2jr1 h ALA 61 CO 0.00 -0.15 0.46 -0.92 0.00 0.00 0.00 179.25 178.64 2jr1 h TYR 62 N 0.00 0.77 -0.83 0.00 3.20 -1.58 0.11 116.97 118.63 2jr1 h TYR 62 Ca 0.05 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.96 2jr1 h TYR 62 Cb 0.24 -0.19 -0.04 0.00 1.54 0.00 0.00 36.73 38.28 2jr1 h TYR 62 CO 0.00 -0.05 0.54 0.00 -1.64 0.00 0.00 178.16 177.01 2jr1 h THR 63 N 0.42 1.22 -0.08 1.81 1.03 -1.85 0.33 112.91 115.79 2jr1 h THR 63 Ca 0.61 -0.43 -0.24 0.00 -0.01 0.00 0.00 66.41 66.34 2jr1 h THR 63 Cb 1.20 0.01 0.02 0.00 -1.07 0.00 0.00 68.15 68.31 2jr1 h THR 63 CO -0.54 0.22 -0.89 0.00 -0.01 0.00 0.00 175.52 174.30 2jr1 h ALA 64 N 1.29 0.21 -0.84 0.00 0.00 -1.62 -3.24 119.26 115.06 2jr1 h ALA 64 Ca 0.30 -0.64 0.05 0.00 0.00 0.00 0.00 54.91 54.62 2jr1 h ALA 64 Cb -0.11 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.65 2jr1 h ALA 64 CO -0.06 0.66 0.53 2.35 0.00 0.00 0.00 179.25 182.73 2jr1 h TRP 65 N 0.45 0.98 -0.52 0.00 7.01 -0.74 -2.75 115.95 120.37 2jr1 h TRP 65 Ca -0.09 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 60.93 2jr1 h TRP 65 Cb 1.53 -0.32 -0.03 0.00 -2.10 0.00 0.00 29.16 28.25 2jr1 h TRP 65 CO 0.10 0.52 0.29 0.87 -2.79 0.00 0.00 178.44 177.43 2jr1 h LYS 66 N 0.99 0.71 -0.57 2.65 1.79 -1.04 -0.18 116.57 120.91 2jr1 h LYS 66 Ca 0.35 -0.07 -0.04 0.00 -2.18 0.00 0.00 60.65 58.72 2jr1 h LYS 66 Cb 0.11 -0.15 -0.03 0.00 -1.58 0.00 0.00 32.23 30.58 2jr1 h LYS 66 CO -0.15 0.52 0.21 0.00 -1.08 0.00 0.00 179.45 178.95 2jr1 h ALA 67 N 1.60 1.30 0.05 3.86 0.00 -1.55 -3.36 119.26 121.16 2jr1 h ALA 67 Ca 0.19 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 2jr1 h ALA 67 Cb 0.01 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 17.59 2jr1 h ALA 67 CO -0.03 0.51 -0.51 0.87 0.00 0.00 0.00 179.25 180.10 2jr1 h LYS 68 N 0.82 0.26 -4.82 0.00 1.57 -1.15 -3.48 116.57 109.77 2jr1 h LYS 68 Ca 0.19 -0.34 -0.30 0.00 -1.87 0.00 0.00 60.65 58.33 2jr1 h LYS 68 Cb 0.19 0.11 -0.19 0.00 0.08 0.00 0.00 32.23 32.42 2jr1 h LYS 68 CO -0.01 1.09 -0.74 -1.01 -0.57 0.00 0.00 179.45 178.21 2jr1 s HIS 69 N -2.80 0.90 0.00 -1.35 3.76 -0.12 -5.12 115.29 110.56 2jr1 s HIS 69 Ca -0.15 -0.60 0.00 0.00 -0.15 0.00 0.00 55.06 54.17 2jr1 s HIS 69 Cb 0.01 -0.51 0.00 0.00 1.11 0.00 0.00 32.58 33.19 2jr1 s HIS 69 CO 0.79 -0.05 0.09 -0.35 -0.85 0.00 0.00 174.74 174.37 2jr1 n PRO 70 N 0.96 0.00 -3.34 8.40 -0.04 -1.26 -4.16 135.00 135.56 2jr1 n PRO 70 Ca -0.19 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.01 2jr1 n PRO 70 Cb 0.56 -0.42 -0.08 0.00 -0.04 0.00 0.00 33.50 33.52 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 -0.22 2.21 -0.03 3.54 8.00 -1.26 -4.81 116.55 123.97 2jr1 n ASP 71 Ca 0.00 -3.11 -0.00 0.00 0.71 0.00 0.00 54.79 52.39 2jr1 n ASP 71 Cb 0.00 -0.66 -0.00 0.00 -0.02 0.00 0.00 41.12 40.44 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 4.18 -0.02 -6.75 -1.24 4.81 -1.92 -3.45 114.58 110.20 2jr1 h GLU 72 Ca 0.15 0.00 -0.52 0.00 -0.13 0.00 0.00 59.36 58.86 2jr1 h GLU 72 Cb 0.76 0.00 0.04 0.00 0.63 0.00 0.00 28.75 30.18 2jr1 h GLU 72 CO 0.67 -0.01 0.61 0.21 -0.73 0.00 0.00 179.01 179.76 2jr1 s LYS 73 N -1.46 4.43 0.29 1.92 2.20 -1.26 -3.88 119.74 121.98 2jr1 s LYS 73 Ca -0.00 2.03 -0.29 0.00 -0.36 0.00 0.00 55.97 57.35 2jr1 s LYS 73 Cb 0.00 -3.17 -0.10 0.00 -1.51 0.00 0.00 37.83 33.05 2jr1 s LYS 73 CO 0.01 -0.15 1.31 0.12 -0.36 0.00 0.00 175.35 176.28 2jr1 s PHE 74 N -0.41 3.13 -1.10 4.03 5.36 -1.26 -4.92 117.98 122.81 2jr1 s PHE 74 Ca 0.52 1.34 -0.19 0.00 -0.96 0.00 0.00 56.93 57.65 2jr1 s PHE 74 Cb -0.36 -3.65 -0.06 0.00 -0.34 0.00 0.00 43.02 38.61 2jr1 s PHE 74 CO 0.42 -1.87 1.99 -0.35 -1.46 0.00 0.00 175.22 173.95 2jr1 n PRO 75 N 1.42 2.12 -3.04 10.12 -0.04 -1.26 -4.94 135.00 139.36 2jr1 n PRO 75 Ca 0.02 -2.35 -0.40 0.00 -0.04 0.00 0.00 63.50 60.74 2jr1 n PRO 75 Cb 0.42 -3.23 -0.05 0.00 -0.04 0.00 0.00 33.50 30.59 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 5.41 3.40 0.24 0.55 0.00 -1.26 -5.10 121.76 125.00 2jr1 s ALA 76 Ca 0.56 0.21 0.07 0.00 0.00 0.00 0.00 51.96 52.80 2jr1 s ALA 76 Cb 0.10 -2.92 -0.04 0.00 0.00 0.00 0.00 23.12 20.27 2jr1 s ALA 76 CO 0.06 0.10 0.21 -0.59 0.00 0.00 0.00 175.76 175.54 2jr1 s PHE 77 N -0.12 3.16 -0.97 0.00 -0.71 -1.26 -4.33 117.98 113.75 2jr1 s PHE 77 Ca 0.36 -0.09 -0.24 0.00 -1.04 0.00 0.00 56.93 55.93 2jr1 s PHE 77 Cb -0.20 -1.43 0.04 0.00 -1.21 0.00 0.00 43.02 40.21 2jr1 s PHE 77 CO 0.21 0.51 1.48 -1.25 -1.34 0.00 0.00 175.22 174.83 2jr1 s PRO 78 N -3.80 3.44 0.00 1.99 0.04 -1.26 -4.78 135.00 130.63 2jr1 s PRO 78 Ca 0.33 -0.92 0.25 0.00 0.04 0.00 0.00 61.00 60.70 2jr1 s PRO 78 Cb -0.08 -5.17 0.41 0.00 0.04 0.00 0.00 34.50 29.70 2jr1 s PRO 78 CO 0.25 -2.31 1.39 0.41 0.04 0.00 0.00 177.00 176.78