#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 -0.48 -3.17 4.37 -0.73 -2.03 -3.36 115.58 110.18 2jr1 h ASN 2 Ca 0.00 -0.07 -0.66 0.00 1.87 0.00 0.00 56.30 57.44 2jr1 h ASN 2 Cb 0.00 0.12 -0.16 0.00 0.27 0.00 0.00 38.32 38.55 2jr1 h ASN 2 CO 0.00 -0.21 0.23 0.54 -0.37 0.00 0.00 177.43 177.62 2jr1 s VAL 3 N -5.34 4.70 -0.11 2.57 0.11 -1.26 -4.95 120.40 116.11 2jr1 s VAL 3 Ca -0.15 -0.32 -0.04 0.00 -2.93 0.00 0.00 61.98 58.54 2jr1 s VAL 3 Cb 0.03 -4.41 0.06 0.00 -1.53 0.00 0.00 36.38 30.53 2jr1 s VAL 3 CO 0.58 -0.96 0.18 -0.75 -3.33 0.00 0.00 175.10 170.81 2jr1 s LYS 4 N 3.09 0.07 1.00 1.54 2.47 -1.26 -5.17 119.74 121.49 2jr1 s LYS 4 Ca 0.19 0.49 -0.12 0.00 -1.56 0.00 0.00 55.97 54.97 2jr1 s LYS 4 Cb -0.18 -0.49 0.19 0.00 -1.46 0.00 0.00 37.83 35.89 2jr1 s LYS 4 CO 0.13 -0.38 1.08 -0.65 0.16 0.00 0.00 175.35 175.69 2jr1 s GLN 5 N 2.30 0.38 0.36 4.03 -1.52 -1.26 -4.96 119.66 119.00 2jr1 s GLN 5 Ca 0.03 0.76 -0.26 0.00 -1.95 0.00 0.00 55.36 53.94 2jr1 s GLN 5 Cb -0.13 -1.71 -0.09 0.00 -0.22 0.00 0.00 33.01 30.86 2jr1 s GLN 5 CO -0.07 -2.83 1.16 0.15 -0.25 0.00 0.00 175.29 173.45 2jr1 s LYS 6 N -4.81 4.23 -0.43 2.91 3.01 -1.26 -5.01 119.74 118.39 2jr1 s LYS 6 Ca 0.66 1.85 0.02 0.00 -1.01 0.00 0.00 55.97 57.49 2jr1 s LYS 6 Cb -0.20 -2.83 0.13 0.00 -1.01 0.00 0.00 37.83 33.92 2jr1 s LYS 6 CO 0.59 -0.17 0.23 -1.54 0.51 0.00 0.00 175.35 174.97 2jr1 s SER 7 N -1.03 3.65 -0.50 2.83 1.04 -1.26 -4.99 113.70 113.44 2jr1 s SER 7 Ca 0.53 -2.55 -0.14 0.00 0.48 0.00 0.00 55.95 54.28 2jr1 s SER 7 Cb -0.31 -1.00 0.11 0.00 0.10 0.00 0.00 66.02 64.91 2jr1 s SER 7 CO 0.40 -0.28 0.42 -1.61 0.98 0.00 0.00 173.24 173.15 2jr1 s GLU 8 N 0.46 2.86 -0.02 4.02 2.02 -1.25 -3.60 118.70 123.20 2jr1 s GLU 8 Ca 0.17 -1.58 0.04 0.00 0.02 0.00 0.00 54.97 53.62 2jr1 s GLU 8 Cb -0.24 -4.13 -0.03 0.00 0.10 0.00 0.00 34.13 29.82 2jr1 s GLU 8 CO -0.01 -1.18 -0.11 0.42 0.02 0.00 0.00 175.26 174.41 2jr1 s ILE 9 N 1.56 3.37 0.74 -1.63 -1.09 -0.21 -5.01 121.20 118.92 2jr1 s ILE 9 Ca 0.04 -0.78 -0.11 0.00 -2.23 0.00 0.00 60.65 57.57 2jr1 s ILE 9 Cb -0.27 -2.41 0.03 0.00 -1.58 0.00 0.00 42.46 38.24 2jr1 s ILE 9 CO 0.03 0.47 1.07 -0.89 -1.23 0.00 0.00 174.94 174.40 2jr1 s THR 10 N -0.89 3.68 -0.01 2.92 2.01 -1.26 -3.26 115.64 118.83 2jr1 s THR 10 Ca 0.14 0.54 -0.30 0.00 0.31 0.00 0.00 61.69 62.39 2jr1 s THR 10 Cb -0.11 -3.18 -0.07 0.00 0.01 0.00 0.00 72.50 69.15 2jr1 s THR 10 CO 0.04 -0.71 1.69 0.00 -0.69 0.00 0.00 174.62 174.95 2jr1 s ALA 11 N -3.00 3.63 0.06 7.40 0.00 -1.18 -4.87 121.76 123.80 2jr1 s ALA 11 Ca 0.59 1.05 -0.10 0.00 0.00 0.00 0.00 51.96 53.51 2jr1 s ALA 11 Cb -0.15 -3.74 -0.06 0.00 0.00 0.00 0.00 23.12 19.17 2jr1 s ALA 11 CO 0.55 -1.34 0.38 -1.17 0.00 0.00 0.00 175.76 174.18 2jr1 s LEU 12 N 3.73 4.36 0.51 0.00 1.98 -1.26 -4.86 118.68 123.13 2jr1 s LEU 12 Ca 0.75 0.76 -0.23 0.00 -2.89 0.00 0.00 54.13 52.53 2jr1 s LEU 12 Cb -0.36 -2.91 -0.06 0.00 0.66 0.00 0.00 46.19 43.52 2jr1 s LEU 12 CO 0.32 0.19 1.29 1.33 -1.89 0.00 0.00 176.35 177.59 2jr1 n VAL 13 N 0.99 3.40 -2.54 1.68 0.24 -1.26 -4.44 118.33 116.39 2jr1 n VAL 13 Ca -0.09 -0.50 -0.36 0.00 -2.04 0.00 0.00 64.34 61.35 2jr1 n VAL 13 Cb 0.52 -1.58 -0.04 0.00 -1.47 0.00 0.00 33.84 31.27 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 -2.65 4.07 -0.43 7.34 2.36 -1.18 -4.96 119.74 124.29 2jr1 s LYS 14 Ca 0.69 1.47 -0.29 0.00 -2.55 0.00 0.00 55.97 55.29 2jr1 s LYS 14 Cb -0.44 -2.43 0.03 0.00 -1.05 0.00 0.00 37.83 33.93 2jr1 s LYS 14 CO 0.52 -0.21 1.12 -1.21 1.55 0.00 0.00 175.35 177.12 2jr1 s GLU 15 N -2.68 3.83 -0.04 4.03 8.01 -1.26 -4.53 118.70 126.05 2jr1 s GLU 15 Ca 0.60 0.73 0.04 0.00 0.01 0.00 0.00 54.97 56.35 2jr1 s GLU 15 Cb -0.21 -3.86 -0.00 0.00 -4.31 0.00 0.00 34.13 25.76 2jr1 s GLU 15 CO 0.26 -1.23 -0.16 0.08 0.01 0.00 0.00 175.26 174.22 2jr1 s VAL 16 N 4.22 1.32 -0.03 2.63 1.01 -1.26 -5.10 120.40 123.18 2jr1 s VAL 16 Ca 0.47 -0.65 -0.22 0.00 0.00 0.00 0.00 61.98 61.59 2jr1 s VAL 16 Cb -0.09 -1.14 -0.15 0.00 0.00 0.00 0.00 36.38 35.00 2jr1 s VAL 16 CO 0.27 0.38 0.97 0.74 0.00 0.00 0.00 175.10 177.46 2jr1 h THR 17 N 5.34 0.71 -4.22 3.92 2.02 -1.95 -3.45 112.91 115.28 2jr1 h THR 17 Ca -0.32 -0.90 -0.51 0.00 0.77 0.00 0.00 66.41 65.45 2jr1 h THR 17 Cb 1.18 1.14 0.14 0.00 -1.74 0.00 0.00 68.15 68.87 2jr1 h THR 17 CO 0.48 0.16 0.28 -2.16 0.37 0.00 0.00 175.52 174.66 2jr1 s PRO 18 N -3.82 1.78 -1.03 6.66 0.04 -1.26 -4.91 135.00 132.46 2jr1 s PRO 18 Ca -0.13 1.11 -0.23 0.00 0.04 0.00 0.00 61.00 61.79 2jr1 s PRO 18 Cb 0.01 -1.85 -0.01 0.00 0.04 0.00 0.00 34.50 32.69 2jr1 s PRO 18 CO 0.48 -1.96 1.77 -1.25 0.04 0.00 0.00 177.00 176.08 2jr1 s PRO 19 N -4.88 3.02 -0.13 0.56 0.04 -1.26 -4.89 135.00 127.45 2jr1 s PRO 19 Ca 0.62 -0.88 -0.09 0.00 0.04 0.00 0.00 61.00 60.69 2jr1 s PRO 19 Cb -0.18 -5.24 0.04 0.00 0.04 0.00 0.00 34.50 29.17 2jr1 s PRO 19 CO 0.57 -3.01 0.33 0.50 0.04 0.00 0.00 177.00 175.43 2jr1 s ARG 20 N 6.00 0.34 -0.30 4.56 3.52 -1.26 -5.14 118.95 126.65 2jr1 s ARG 20 Ca 0.61 0.56 0.02 0.00 -0.13 0.00 0.00 55.73 56.80 2jr1 s ARG 20 Cb -0.02 0.05 0.09 0.00 -1.56 0.00 0.00 34.95 33.50 2jr1 s ARG 20 CO -0.00 -0.11 0.02 0.15 -0.81 0.00 0.00 175.30 174.55 2jr1 s LYS 21 N 0.80 1.44 0.04 5.12 -0.14 -1.26 -4.59 119.74 121.15 2jr1 s LYS 21 Ca -0.05 -1.49 -0.26 0.00 -1.36 0.00 0.00 55.97 52.81 2jr1 s LYS 21 Cb -0.06 -2.81 -0.05 0.00 -1.68 0.00 0.00 37.83 33.23 2jr1 s LYS 21 CO -0.06 -0.84 0.79 0.00 -0.76 0.00 0.00 175.35 174.48 2jr1 s ALA 22 N 1.16 3.34 -1.32 5.17 0.00 -1.26 -5.00 121.76 123.86 2jr1 s ALA 22 Ca 0.05 0.31 -0.16 0.00 0.00 0.00 0.00 51.96 52.16 2jr1 s ALA 22 Cb -0.19 -3.04 0.01 0.00 0.00 0.00 0.00 23.12 19.91 2jr1 s ALA 22 CO -0.11 0.02 2.07 -0.35 0.00 0.00 0.00 175.76 177.39 2jr1 n PRO 23 N 2.97 2.68 -2.68 0.00 -0.04 -1.26 -3.13 135.00 133.55 2jr1 n PRO 23 Ca -0.01 -2.63 -0.40 0.00 -0.04 0.00 0.00 63.50 60.41 2jr1 n PRO 23 Cb 0.50 -3.30 -0.05 0.00 -0.04 0.00 0.00 33.50 30.61 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 3.82 7.54 -1.04 3.54 0.15 -1.26 -4.99 113.70 121.45 2jr1 s SER 24 Ca 0.51 2.02 -0.21 0.00 0.70 0.00 0.00 55.95 58.97 2jr1 s SER 24 Cb 0.11 -2.61 0.08 0.00 -1.71 0.00 0.00 66.02 61.89 2jr1 s SER 24 CO -0.01 0.07 1.40 -0.54 1.20 0.00 0.00 173.24 175.36 2jr1 s LYS 25 N -1.16 3.67 -0.12 5.44 3.01 -1.26 -4.53 119.74 124.78 2jr1 s LYS 25 Ca 0.42 -1.47 -0.14 0.00 -1.01 0.00 0.00 55.97 53.77 2jr1 s LYS 25 Cb -0.27 -5.25 -0.05 0.00 -1.01 0.00 0.00 37.83 31.25 2jr1 s LYS 25 CO 0.34 -2.08 0.32 0.00 0.51 0.00 0.00 175.35 174.44 2jr1 s ALA 26 N 4.12 3.62 -0.08 5.17 0.00 -1.26 -2.28 121.76 131.04 2jr1 s ALA 26 Ca 0.43 -0.40 -0.01 0.00 0.00 0.00 0.00 51.96 51.99 2jr1 s ALA 26 Cb -0.01 -2.39 0.03 0.00 0.00 0.00 0.00 23.12 20.75 2jr1 s ALA 26 CO -0.07 0.19 -0.02 0.15 0.00 0.00 0.00 175.76 176.02 2jr1 s LYS 27 N 0.08 0.82 -0.35 0.00 3.01 -1.15 -3.13 119.74 119.02 2jr1 s LYS 27 Ca 0.19 0.02 -0.05 0.00 -1.01 0.00 0.00 55.97 55.12 2jr1 s LYS 27 Cb -0.14 -1.10 0.06 0.00 -1.01 0.00 0.00 37.83 35.64 2jr1 s LYS 27 CO 0.06 -0.28 0.11 1.03 0.51 0.00 0.00 175.35 176.77 2jr1 s ARG 28 N 1.86 2.49 0.01 1.68 0.52 -1.20 -2.52 118.95 121.80 2jr1 s ARG 28 Ca 0.04 -1.31 0.00 0.00 -0.52 0.00 0.00 55.73 53.94 2jr1 s ARG 28 Cb -0.12 -3.43 -0.01 0.00 0.52 0.00 0.00 34.95 31.90 2jr1 s ARG 28 CO -0.06 -0.73 -0.03 -1.21 0.02 0.00 0.00 175.30 173.29 2jr1 s GLU 29 N 1.33 0.22 -0.41 3.54 8.01 -1.23 -1.04 118.70 129.13 2jr1 s GLU 29 Ca -0.01 -0.31 -0.14 0.00 0.01 0.00 0.00 54.97 54.53 2jr1 s GLU 29 Cb -0.20 -0.06 0.03 0.00 -4.31 0.00 0.00 34.13 29.59 2jr1 s GLU 29 CO 0.01 0.01 0.28 0.00 0.01 0.00 0.00 175.26 175.57 2jr1 s ALA 30 N -0.64 3.42 0.00 5.21 0.00 -1.25 -2.00 121.76 126.50 2jr1 s ALA 30 Ca -0.06 -1.77 0.00 0.00 0.00 0.00 0.00 51.96 50.13 2jr1 s ALA 30 Cb -0.05 -2.81 0.00 0.00 0.00 0.00 0.00 23.12 20.26 2jr1 s ALA 30 CO -0.00 -1.47 0.00 -0.35 0.00 0.00 0.00 175.76 173.93 2jr1 n PRO 31 N 5.11 0.00 -4.50 0.00 -0.04 -1.26 -4.75 135.00 129.55 2jr1 n PRO 31 Ca -0.11 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.11 2jr1 n PRO 31 Cb 0.46 0.00 -0.17 0.00 -0.04 0.00 0.00 33.50 33.76 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 0.15 1.05 0.26 0.52 -4.36 -1.26 -4.63 121.20 112.92 2jr1 s ILE 32 Ca 0.00 -0.42 0.16 0.00 -0.26 0.00 0.00 60.65 60.13 2jr1 s ILE 32 Cb 0.00 -0.97 0.11 0.00 1.25 0.00 0.00 42.46 42.84 2jr1 s ILE 32 CO 0.00 0.34 1.76 0.50 0.24 0.00 0.00 174.94 177.78 2jr1 h LYS 33 N 7.04 0.00 -0.63 0.37 1.63 -1.93 -1.86 116.57 121.19 2jr1 h LYS 33 Ca -0.32 0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 59.44 2jr1 h LYS 33 Cb 1.18 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.78 2jr1 h LYS 33 CO 0.47 0.40 0.22 -0.92 -3.45 0.00 0.00 179.45 176.18 2jr1 h TYR 34 N 0.00 0.95 0.03 1.91 3.20 -1.97 -3.34 116.97 117.74 2jr1 h TYR 34 Ca -0.00 -0.07 -0.27 0.00 3.14 0.00 0.00 58.73 61.52 2jr1 h TYR 34 Cb 0.83 -0.29 -0.03 0.00 1.54 0.00 0.00 36.73 38.78 2jr1 h TYR 34 CO 0.00 0.75 -1.49 1.87 -1.64 0.00 0.00 178.16 177.65 2jr1 n TRP 35 N -4.29 1.00 -4.02 -3.82 -0.00 -1.24 -4.96 117.44 100.11 2jr1 n TRP 35 Ca 0.05 0.38 -0.34 0.00 -0.00 0.00 0.00 57.50 57.59 2jr1 n TRP 35 Cb 0.19 -1.11 -0.15 0.00 -0.00 0.00 0.00 31.31 30.24 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 -7.67 2.60 0.53 5.87 1.43 -0.70 -5.05 118.68 115.69 2jr1 s LEU 36 Ca -0.28 -0.49 0.30 0.00 -1.03 0.00 0.00 54.13 52.63 2jr1 s LEU 36 Cb 0.07 -1.64 1.47 0.00 0.03 0.00 0.00 46.19 46.12 2jr1 s LEU 36 CO 0.62 -0.01 2.05 1.55 0.23 0.00 0.00 176.35 180.80 2jr1 h PRO 37 N 8.00 0.00 -4.63 1.29 0.13 -1.83 -3.35 132.00 131.61 2jr1 h PRO 37 Ca -0.43 0.00 -0.70 0.00 -0.87 0.00 0.00 66.00 64.01 2jr1 h PRO 37 Cb 1.15 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 31.98 2jr1 h PRO 37 CO 0.62 0.10 -0.59 -1.58 -0.23 0.00 0.00 178.00 176.31 2jr1 s HIS 38 N -4.01 3.32 -0.63 1.56 5.65 -1.26 -4.84 115.29 115.09 2jr1 s HIS 38 Ca -0.02 -1.69 -0.25 0.00 0.25 0.00 0.00 55.06 53.35 2jr1 s HIS 38 Cb 0.12 -2.51 0.05 0.00 -1.18 0.00 0.00 32.58 29.06 2jr1 s HIS 38 CO 0.56 -0.80 1.05 -1.54 -0.65 0.00 0.00 174.74 173.36 2jr1 s SER 39 N 1.57 6.25 0.00 9.88 1.04 -1.26 -4.73 113.70 126.45 2jr1 s SER 39 Ca -0.00 -0.55 0.00 0.00 0.48 0.00 0.00 55.95 55.88 2jr1 s SER 39 Cb -0.21 -2.47 0.00 0.00 0.10 0.00 0.00 66.02 63.44 2jr1 s SER 39 CO 0.01 -1.46 0.00 0.61 0.98 0.00 0.00 173.24 173.38 2jr1 n GLY 40 N 5.24 -0.80 3.36 7.32 0.00 -1.24 -4.61 105.19 114.47 2jr1 n GLY 40 Ca 0.01 0.35 -0.38 0.00 0.00 0.00 0.00 46.02 46.00 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 3.15 -0.66 4.61 0.00 -0.85 -4.87 121.76 123.14 2jr1 s ALA 41 Ca 0.00 -1.54 -0.22 0.00 0.00 0.00 0.00 51.96 50.20 2jr1 s ALA 41 Cb 0.00 -2.31 0.08 0.00 0.00 0.00 0.00 23.12 20.89 2jr1 s ALA 41 CO 0.00 -1.08 0.94 -0.08 0.00 0.00 0.00 175.76 175.53 2jr1 s THR 42 N 1.52 4.39 -0.43 0.00 -1.32 -1.26 -3.49 115.64 115.05 2jr1 s THR 42 Ca 0.02 -0.48 -0.10 0.00 -1.21 0.00 0.00 61.69 59.92 2jr1 s THR 42 Cb -0.18 -4.67 0.08 0.00 -1.51 0.00 0.00 72.50 66.23 2jr1 s THR 42 CO 0.04 -1.42 0.29 0.86 -2.21 0.00 0.00 174.62 172.18 2jr1 s TRP 43 N 3.86 3.33 -0.54 9.09 -0.11 -1.05 -4.96 118.94 128.57 2jr1 s TRP 43 Ca 0.21 -1.49 -0.20 0.00 1.22 0.00 0.00 56.10 55.84 2jr1 s TRP 43 Cb -0.17 -3.05 0.06 0.00 -1.50 0.00 0.00 33.47 28.81 2jr1 s TRP 43 CO 0.09 -0.86 0.72 -1.54 -4.62 0.00 0.00 176.95 170.75 2jr1 s SER 44 N 2.26 6.23 0.00 5.86 1.04 -1.26 -2.92 113.70 124.91 2jr1 s SER 44 Ca 0.03 -0.89 0.00 0.00 0.48 0.00 0.00 55.95 55.57 2jr1 s SER 44 Cb -0.24 -2.33 0.00 0.00 0.10 0.00 0.00 66.02 63.55 2jr1 s SER 44 CO 0.02 -1.04 0.00 0.61 0.98 0.00 0.00 173.24 173.82 2jr1 n GLY 45 N 5.19 0.36 3.72 7.32 0.00 -0.97 -4.93 105.19 115.88 2jr1 n GLY 45 Ca -0.05 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 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 4.44 -1.19 1.61 3.00 -1.26 -4.10 118.95 121.45 2jr1 s ARG 46 Ca 0.00 1.79 -0.21 0.00 -1.00 0.00 0.00 55.73 56.32 2jr1 s ARG 46 Cb 0.00 -3.33 0.02 0.00 0.00 0.00 0.00 34.95 31.65 2jr1 s ARG 46 CO 0.00 -0.23 1.74 0.20 0.00 0.00 0.00 175.30 177.01 2jr1 s GLY 47 N 0.90 1.14 -0.24 8.12 0.00 -1.26 -4.88 107.32 111.08 2jr1 s GLY 47 Ca 0.58 -2.51 -0.23 0.00 0.00 0.00 0.00 44.72 42.55 2jr1 s GLY 47 CO 0.30 2.96 0.77 -1.59 0.00 0.00 0.00 173.10 175.53 2jr1 s LYS 48 N 5.07 4.17 -0.21 2.90 0.00 -1.26 -5.05 119.74 125.36 2jr1 s LYS 48 Ca 0.57 0.82 0.00 0.00 0.00 0.00 0.00 55.97 57.36 2jr1 s LYS 48 Cb 0.01 -3.64 0.05 0.00 0.00 0.00 0.00 37.83 34.25 2jr1 s LYS 48 CO 0.05 -0.47 -0.05 0.42 0.00 0.00 0.00 175.35 175.29 2jr1 s ILE 49 N 2.70 1.36 -0.10 3.79 1.09 -1.26 -4.74 121.20 124.04 2jr1 s ILE 49 Ca 0.32 -0.98 -0.02 0.00 -1.10 0.00 0.00 60.65 58.88 2jr1 s ILE 49 Cb -0.15 -1.59 0.00 0.00 -1.06 0.00 0.00 42.46 39.66 2jr1 s ILE 49 CO 0.08 -0.01 2.35 -0.81 -0.10 0.00 0.00 174.94 176.45 2jr1 n PRO 50 N 4.76 1.45 -0.00 2.79 -0.04 -1.26 -4.56 135.00 138.13 2jr1 n PRO 50 Ca -0.12 -0.67 -0.13 0.00 -0.04 0.00 0.00 63.50 62.54 2jr1 n PRO 50 Cb 0.46 -1.39 -0.10 0.00 -0.04 0.00 0.00 33.50 32.43 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 1.60 -0.05 0.00 0.54 6.56 -1.98 0.02 116.57 123.25 2jr1 h LYS 51 Ca 0.12 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.71 2jr1 h LYS 51 Cb 1.06 0.01 -0.00 0.00 -0.57 0.00 0.00 32.23 32.73 2jr1 h LYS 51 CO 0.26 0.50 -0.05 -1.00 -2.06 0.00 0.00 179.45 177.10 2jr1 h PRO 52 N -0.64 0.00 0.36 3.15 0.13 -1.97 -1.57 132.00 131.45 2jr1 h PRO 52 Ca -0.01 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.11 2jr1 h PRO 52 Cb 0.57 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.71 2jr1 h PRO 52 CO 0.01 0.05 -0.17 0.35 -0.23 0.00 0.00 178.00 178.01 2jr1 h PHE 53 N 0.00 -0.45 -0.06 1.56 3.57 -1.89 -2.77 116.94 116.90 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 0.11 0.15 -0.00 0.00 2.79 0.00 0.00 35.95 38.99 2jr1 h PHE 53 CO 0.00 -0.28 0.05 1.49 -2.23 0.00 0.00 178.31 177.34 2jr1 h GLU 54 N -0.81 0.00 0.18 1.11 4.81 -1.02 0.16 114.58 119.01 2jr1 h GLU 54 Ca -0.05 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 2jr1 h GLU 54 Cb 0.37 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.75 2jr1 h GLU 54 CO 0.08 0.00 -0.09 0.00 -0.73 0.00 0.00 179.01 178.27 2jr1 h ALA 55 N 1.96 -0.25 -0.05 2.92 0.00 -1.43 -2.60 119.26 119.81 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 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2jr1 h ALA 55 CO -0.00 -0.47 -0.54 2.35 0.00 0.00 0.00 179.25 180.60 2jr1 h TRP 56 N -0.59 0.16 0.00 0.00 2.91 -1.19 0.13 115.95 117.36 2jr1 h TRP 56 Ca -0.03 -0.05 0.00 0.00 1.13 0.00 0.00 58.89 59.94 2jr1 h TRP 56 Cb 0.44 -0.03 0.00 0.00 -0.51 0.00 0.00 29.16 29.06 2jr1 h TRP 56 CO 0.03 0.64 0.00 -0.89 -1.03 0.00 0.00 178.44 177.19 2jr1 n ILE 57 N -3.91 0.43 -0.05 2.65 2.08 0.52 -3.49 119.36 117.59 2jr1 n ILE 57 Ca -0.02 0.11 -0.06 0.00 0.56 0.00 0.00 62.75 63.34 2jr1 n ILE 57 Cb 0.56 -0.97 -0.07 0.00 -0.75 0.00 0.00 39.64 38.42 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 -0.50 -0.33 0.36 7.39 0.00 -0.57 -3.67 105.19 107.87 2jr1 n GLY 58 Ca 0.05 -0.12 0.06 0.00 0.00 0.00 0.00 46.02 46.01 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 0.01 0.00 2.61 2.02 -0.83 -2.76 112.91 113.96 2jr1 h THR 59 Ca -0.26 -0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.92 2jr1 h THR 59 Cb 1.50 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.92 2jr1 h THR 59 CO -0.01 0.00 -0.90 0.00 0.37 0.00 0.00 175.52 174.97 2jr1 n ALA 60 N -3.61 1.90 0.27 6.16 0.00 -1.26 -4.88 120.51 119.09 2jr1 n ALA 60 Ca 0.16 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.73 2jr1 n ALA 60 Cb 0.50 0.20 0.75 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 1.30 -0.84 0.00 0.00 -1.77 -3.31 119.26 114.64 2jr1 h ALA 61 Ca 0.00 -0.09 0.21 0.00 0.00 0.00 0.00 54.91 55.03 2jr1 h ALA 61 Cb 0.82 -0.02 -0.13 0.00 0.00 0.00 0.00 17.79 18.46 2jr1 h ALA 61 CO 0.00 0.13 0.20 -0.92 0.00 0.00 0.00 179.25 178.66 2jr1 h TYR 62 N 0.00 0.30 -0.69 0.00 3.20 -1.56 0.11 116.97 118.33 2jr1 h TYR 62 Ca -0.00 0.05 -0.01 0.00 3.14 0.00 0.00 58.73 61.90 2jr1 h TYR 62 Cb 0.30 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.53 2jr1 h TYR 62 CO 0.00 -0.18 0.38 0.00 -1.64 0.00 0.00 178.16 176.71 2jr1 h THR 63 N 0.22 1.21 -0.07 1.81 1.03 -1.85 0.24 112.91 115.49 2jr1 h THR 63 Ca 0.51 -0.52 -0.20 0.00 -0.01 0.00 0.00 66.41 66.19 2jr1 h THR 63 Cb 0.99 0.27 0.01 0.00 -1.07 0.00 0.00 68.15 68.36 2jr1 h THR 63 CO -0.63 0.23 -0.74 0.00 -0.01 0.00 0.00 175.52 174.38 2jr1 h ALA 64 N 1.45 0.19 -0.70 0.00 0.00 -1.60 -3.28 119.26 115.31 2jr1 h ALA 64 Ca 0.25 -0.59 0.05 0.00 0.00 0.00 0.00 54.91 54.61 2jr1 h ALA 64 Cb 0.03 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 2jr1 h ALA 64 CO -0.04 0.54 0.42 2.35 0.00 0.00 0.00 179.25 182.51 2jr1 h TRP 65 N 0.26 0.77 -0.53 0.00 7.01 -0.73 -2.80 115.95 119.93 2jr1 h TRP 65 Ca -0.07 0.02 0.00 0.00 2.11 0.00 0.00 58.89 60.95 2jr1 h TRP 65 Cb 1.39 -0.24 -0.03 0.00 -2.10 0.00 0.00 29.16 28.18 2jr1 h TRP 65 CO 0.11 0.39 0.34 0.87 -2.79 0.00 0.00 178.44 177.36 2jr1 h LYS 66 N 0.78 0.71 -0.54 2.65 1.79 -1.08 -0.11 116.57 120.76 2jr1 h LYS 66 Ca 0.30 -0.05 -0.06 0.00 -2.18 0.00 0.00 60.65 58.67 2jr1 h LYS 66 Cb 0.14 -0.16 -0.02 0.00 -1.58 0.00 0.00 32.23 30.61 2jr1 h LYS 66 CO -0.16 0.48 0.10 0.00 -1.08 0.00 0.00 179.45 178.79 2jr1 h ALA 67 N 1.65 1.15 0.06 3.86 0.00 -1.59 -3.37 119.26 121.02 2jr1 h ALA 67 Ca 0.19 -0.23 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 2jr1 h ALA 67 Cb -0.06 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 17.53 2jr1 h ALA 67 CO -0.04 0.56 -0.53 0.87 0.00 0.00 0.00 179.25 180.11 2jr1 h LYS 68 N 0.81 0.25 -5.34 0.00 1.57 -1.15 -3.47 116.57 109.24 2jr1 h LYS 68 Ca 0.17 -0.35 -0.42 0.00 -1.87 0.00 0.00 60.65 58.18 2jr1 h LYS 68 Cb 0.35 0.12 -0.22 0.00 0.08 0.00 0.00 32.23 32.55 2jr1 h LYS 68 CO 0.00 1.11 -0.78 -1.01 -0.57 0.00 0.00 179.45 178.20 2jr1 s HIS 69 N -2.72 1.22 0.00 -1.35 3.76 -0.10 -5.12 115.29 110.98 2jr1 s HIS 69 Ca -0.15 -0.43 -0.00 0.00 -0.15 0.00 0.00 55.06 54.33 2jr1 s HIS 69 Cb 0.01 -0.69 -0.00 0.00 1.11 0.00 0.00 32.58 33.00 2jr1 s HIS 69 CO 0.79 0.05 0.76 -1.00 -0.85 0.00 0.00 174.74 174.49 2jr1 h PRO 70 N 4.47 -0.01 -0.89 8.40 0.13 -1.85 -3.37 132.00 138.88 2jr1 h PRO 70 Ca -0.40 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.38 2jr1 h PRO 70 Cb 1.19 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.92 2jr1 h PRO 70 CO 0.41 -0.01 -1.13 -3.47 -0.23 0.00 0.00 178.00 173.57 2jr1 n ASP 71 N -2.04 1.82 -0.13 1.44 2.03 -1.26 -4.81 116.55 113.59 2jr1 n ASP 71 Ca -0.00 -2.64 -0.13 0.00 0.52 0.00 0.00 54.79 52.54 2jr1 n ASP 71 Cb 0.01 -0.51 -0.02 0.00 -0.72 0.00 0.00 41.12 39.88 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 2.85 0.92 -6.79 -0.67 4.81 -1.94 -3.44 114.58 110.32 2jr1 h GLU 72 Ca -0.07 -0.46 -0.48 0.00 -0.13 0.00 0.00 59.36 58.22 2jr1 h GLU 72 Cb 1.19 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.55 2jr1 h GLU 72 CO 0.45 1.11 0.31 0.21 -0.73 0.00 0.00 179.01 180.37 2jr1 s LYS 73 N -4.48 4.64 0.27 1.92 2.20 -1.26 -4.34 119.74 118.69 2jr1 s LYS 73 Ca -0.11 1.33 -0.30 0.00 -0.36 0.00 0.00 55.97 56.53 2jr1 s LYS 73 Cb 0.11 -3.00 -0.10 0.00 -1.51 0.00 0.00 37.83 33.33 2jr1 s LYS 73 CO 0.87 0.39 1.41 0.12 -0.36 0.00 0.00 175.35 177.78 2jr1 s PHE 74 N -1.43 3.02 -1.22 4.03 5.36 -1.26 -4.92 117.98 121.57 2jr1 s PHE 74 Ca 0.45 1.12 -0.20 0.00 -0.96 0.00 0.00 56.93 57.34 2jr1 s PHE 74 Cb -0.21 -3.79 -0.02 0.00 -0.34 0.00 0.00 43.02 38.66 2jr1 s PHE 74 CO 0.26 -2.48 1.89 -0.35 -1.46 0.00 0.00 175.22 173.09 2jr1 n PRO 75 N 2.00 2.39 -3.57 10.12 -0.04 -1.26 -4.95 135.00 139.69 2jr1 n PRO 75 Ca 0.05 -2.74 -0.37 0.00 -0.04 0.00 0.00 63.50 60.41 2jr1 n PRO 75 Cb 0.41 -3.49 -0.07 0.00 -0.04 0.00 0.00 33.50 30.31 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 6.59 3.63 0.34 0.55 0.00 -1.26 -5.12 121.76 126.49 2jr1 s ALA 76 Ca 0.59 -0.46 0.01 0.00 0.00 0.00 0.00 51.96 52.10 2jr1 s ALA 76 Cb 0.05 -2.34 -0.03 0.00 0.00 0.00 0.00 23.12 20.80 2jr1 s ALA 76 CO 0.08 0.18 0.53 -0.59 0.00 0.00 0.00 175.76 175.96 2jr1 s PHE 77 N 0.17 3.45 -0.53 0.00 -0.71 -1.26 -4.36 117.98 114.74 2jr1 s PHE 77 Ca 0.17 0.26 -0.28 0.00 -1.04 0.00 0.00 56.93 56.03 2jr1 s PHE 77 Cb -0.13 -1.89 0.02 0.00 -1.21 0.00 0.00 43.02 39.81 2jr1 s PHE 77 CO 0.04 0.12 1.37 -1.25 -1.34 0.00 0.00 175.22 174.16 2jr1 s PRO 78 N -4.28 3.41 0.00 1.99 0.04 -1.26 -4.73 135.00 130.16 2jr1 s PRO 78 Ca 0.40 0.53 0.00 0.00 0.04 0.00 0.00 61.00 61.97 2jr1 s PRO 78 Cb -0.10 -4.08 0.00 0.00 0.04 0.00 0.00 34.50 30.37 2jr1 s PRO 78 CO 0.35 -1.80 0.00 0.41 0.04 0.00 0.00 177.00 176.00