#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 0.93 -2.63 4.37 -1.24 -2.06 -3.42 115.58 111.53 2jr1 h ASN 2 Ca 0.00 -0.37 -0.57 0.00 0.71 0.00 0.00 56.30 56.07 2jr1 h ASN 2 Cb 0.00 -0.26 -0.03 0.00 0.73 0.00 0.00 38.32 38.76 2jr1 h ASN 2 CO 0.00 1.14 1.27 0.54 -1.29 0.00 0.00 177.43 179.09 2jr1 s VAL 3 N -4.56 3.49 -0.06 2.57 0.11 -1.26 -4.99 120.40 115.70 2jr1 s VAL 3 Ca -0.10 0.48 -0.02 0.00 -2.93 0.00 0.00 61.98 59.41 2jr1 s VAL 3 Cb 0.12 -3.72 0.03 0.00 -1.53 0.00 0.00 36.38 31.29 2jr1 s VAL 3 CO 0.86 -0.49 0.05 -0.54 -3.33 0.00 0.00 175.10 171.65 2jr1 s LYS 4 N 5.77 0.11 0.92 1.54 1.02 -1.26 -5.15 119.74 122.68 2jr1 s LYS 4 Ca 0.77 0.26 -0.12 0.00 0.02 0.00 0.00 55.97 56.91 2jr1 s LYS 4 Cb -0.21 -0.75 0.14 0.00 -0.52 0.00 0.00 37.83 36.49 2jr1 s LYS 4 CO 0.32 -0.36 1.09 -0.65 -0.92 0.00 0.00 175.35 174.83 2jr1 s GLN 5 N 2.12 1.10 0.08 1.68 -1.52 -1.26 -4.95 119.66 116.91 2jr1 s GLN 5 Ca 0.05 0.83 -0.31 0.00 -1.95 0.00 0.00 55.36 53.98 2jr1 s GLN 5 Cb -0.12 -1.79 -0.08 0.00 -0.22 0.00 0.00 33.01 30.80 2jr1 s GLN 5 CO -0.04 -2.35 1.51 0.15 -0.25 0.00 0.00 175.29 174.30 2jr1 s LYS 6 N -4.90 4.25 -0.30 2.91 3.01 -1.26 -4.97 119.74 118.48 2jr1 s LYS 6 Ca 0.64 2.18 0.02 0.00 -1.01 0.00 0.00 55.97 57.80 2jr1 s LYS 6 Cb -0.18 -3.42 0.09 0.00 -1.01 0.00 0.00 37.83 33.31 2jr1 s LYS 6 CO 0.57 -0.59 0.02 -1.12 0.51 0.00 0.00 175.35 174.74 2jr1 s SER 7 N 1.70 4.38 -0.41 2.83 0.01 -1.26 -4.99 113.70 115.96 2jr1 s SER 7 Ca 0.68 -1.75 -0.03 0.00 1.31 0.00 0.00 55.95 56.16 2jr1 s SER 7 Cb -0.38 -1.37 0.11 0.00 0.21 0.00 0.00 66.02 64.60 2jr1 s SER 7 CO 0.30 -0.33 0.21 -1.61 0.41 0.00 0.00 173.24 172.22 2jr1 s GLU 8 N 1.18 2.03 -0.05 12.44 2.02 -1.25 -3.50 118.70 131.56 2jr1 s GLU 8 Ca 0.05 -1.83 0.01 0.00 0.02 0.00 0.00 54.97 53.22 2jr1 s GLU 8 Cb -0.19 -3.60 -0.03 0.00 0.10 0.00 0.00 34.13 30.41 2jr1 s GLU 8 CO -0.11 -1.08 -0.04 0.42 0.02 0.00 0.00 175.26 174.47 2jr1 s ILE 9 N 1.14 3.93 0.69 -1.63 1.09 -0.37 -5.00 121.20 121.05 2jr1 s ILE 9 Ca 0.08 -0.50 -0.15 0.00 -1.10 0.00 0.00 60.65 58.99 2jr1 s ILE 9 Cb -0.23 -2.66 0.02 0.00 -1.06 0.00 0.00 42.46 38.52 2jr1 s ILE 9 CO -0.04 0.52 1.15 -0.89 -0.10 0.00 0.00 174.94 175.58 2jr1 s THR 10 N -0.91 2.86 0.29 2.92 2.01 -1.26 -3.04 115.64 118.51 2jr1 s THR 10 Ca 0.15 0.41 -0.30 0.00 0.31 0.00 0.00 61.69 62.26 2jr1 s THR 10 Cb -0.11 -2.94 -0.11 0.00 0.01 0.00 0.00 72.50 69.35 2jr1 s THR 10 CO 0.04 -0.24 1.51 0.00 -0.69 0.00 0.00 174.62 175.24 2jr1 s ALA 11 N -2.20 3.67 0.17 7.40 0.00 -1.13 -4.87 121.76 124.81 2jr1 s ALA 11 Ca 0.70 1.47 0.10 0.00 0.00 0.00 0.00 51.96 54.23 2jr1 s ALA 11 Cb -0.24 -3.60 -0.04 0.00 0.00 0.00 0.00 23.12 19.24 2jr1 s ALA 11 CO 0.43 -0.89 -0.21 -1.17 0.00 0.00 0.00 175.76 173.91 2jr1 s LEU 12 N -0.78 2.42 0.48 0.00 2.96 -1.26 -4.94 118.68 117.56 2jr1 s LEU 12 Ca 0.60 -0.85 -0.24 0.00 -0.22 0.00 0.00 54.13 53.42 2jr1 s LEU 12 Cb -0.45 -0.98 -0.08 0.00 0.50 0.00 0.00 46.19 45.18 2jr1 s LEU 12 CO 0.49 0.04 1.32 1.33 -1.32 0.00 0.00 176.35 178.21 2jr1 n VAL 13 N 0.35 3.06 -2.09 1.68 0.24 -1.26 -4.32 118.33 115.99 2jr1 n VAL 13 Ca -0.13 -0.50 -0.33 0.00 -2.04 0.00 0.00 64.34 61.34 2jr1 n VAL 13 Cb 0.56 -1.65 0.00 0.00 -1.47 0.00 0.00 33.84 31.29 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 -2.50 3.41 -0.54 7.34 2.20 -0.69 -4.93 119.74 124.03 2jr1 s LYS 14 Ca 0.65 1.15 -0.28 0.00 -0.36 0.00 0.00 55.97 57.13 2jr1 s LYS 14 Cb -0.46 -2.05 0.02 0.00 -1.51 0.00 0.00 37.83 33.84 2jr1 s LYS 14 CO 0.55 -0.73 1.26 -1.21 -0.36 0.00 0.00 175.35 174.86 2jr1 s GLU 15 N -4.11 3.51 -0.04 4.03 8.01 -1.26 -4.65 118.70 124.19 2jr1 s GLU 15 Ca 0.63 0.44 0.02 0.00 0.01 0.00 0.00 54.97 56.06 2jr1 s GLU 15 Cb -0.15 -4.02 0.01 0.00 -4.31 0.00 0.00 34.13 25.66 2jr1 s GLU 15 CO 0.37 -1.68 -0.09 0.08 0.01 0.00 0.00 175.26 173.95 2jr1 s VAL 16 N 5.19 0.83 -0.05 2.63 1.01 -1.26 -5.09 120.40 123.66 2jr1 s VAL 16 Ca 0.48 -0.35 -0.17 0.00 0.00 0.00 0.00 61.98 61.95 2jr1 s VAL 16 Cb -0.09 -0.77 -0.11 0.00 0.00 0.00 0.00 36.38 35.41 2jr1 s VAL 16 CO 0.27 0.27 0.69 0.74 0.00 0.00 0.00 175.10 177.07 2jr1 h THR 17 N 5.68 0.39 -4.10 3.92 2.02 -1.95 -3.47 112.91 115.41 2jr1 h THR 17 Ca -0.34 -0.88 -0.48 0.00 0.77 0.00 0.00 66.41 65.48 2jr1 h THR 17 Cb 1.17 0.66 0.14 0.00 -1.74 0.00 0.00 68.15 68.39 2jr1 h THR 17 CO 0.48 0.10 0.26 -2.16 0.37 0.00 0.00 175.52 174.57 2jr1 s PRO 18 N -3.22 1.33 -1.21 6.66 0.04 -1.26 -4.92 135.00 132.42 2jr1 s PRO 18 Ca -0.09 0.78 -0.21 0.00 0.04 0.00 0.00 61.00 61.52 2jr1 s PRO 18 Cb 0.01 -1.82 -0.01 0.00 0.04 0.00 0.00 34.50 32.72 2jr1 s PRO 18 CO 0.33 -2.18 1.82 -1.25 0.04 0.00 0.00 177.00 175.76 2jr1 s PRO 19 N -4.97 3.22 -0.20 0.56 0.04 -1.26 -4.85 135.00 127.54 2jr1 s PRO 19 Ca 0.63 -1.49 -0.12 0.00 0.04 0.00 0.00 61.00 60.06 2jr1 s PRO 19 Cb -0.17 -5.37 0.06 0.00 0.04 0.00 0.00 34.50 29.06 2jr1 s PRO 19 CO 0.57 -3.10 0.50 0.50 0.04 0.00 0.00 177.00 175.51 2jr1 s ARG 20 N 5.43 0.51 -0.32 4.56 6.06 -1.26 -5.15 118.95 128.77 2jr1 s ARG 20 Ca 0.61 0.89 -0.05 0.00 -2.50 0.00 0.00 55.73 54.67 2jr1 s ARG 20 Cb 0.01 0.07 0.03 0.00 0.06 0.00 0.00 34.95 35.12 2jr1 s ARG 20 CO 0.09 -0.14 0.07 0.15 -2.50 0.00 0.00 175.30 172.97 2jr1 s LYS 21 N 1.27 2.69 -0.15 5.12 -0.14 -1.26 -4.75 119.74 122.53 2jr1 s LYS 21 Ca -0.08 -1.12 -0.23 0.00 -1.36 0.00 0.00 55.97 53.19 2jr1 s LYS 21 Cb -0.07 -3.36 -0.03 0.00 -1.68 0.00 0.00 37.83 32.69 2jr1 s LYS 21 CO -0.12 -0.60 0.70 0.00 -0.76 0.00 0.00 175.35 174.57 2jr1 s ALA 22 N 1.39 3.48 -1.19 5.17 0.00 -1.26 -4.96 121.76 124.39 2jr1 s ALA 22 Ca -0.01 -0.07 -0.19 0.00 0.00 0.00 0.00 51.96 51.68 2jr1 s ALA 22 Cb -0.19 -3.02 0.07 0.00 0.00 0.00 0.00 23.12 19.99 2jr1 s ALA 22 CO 0.02 -0.43 1.60 -1.25 0.00 0.00 0.00 175.76 175.70 2jr1 s PRO 23 N 1.60 3.86 0.35 0.00 0.04 -1.26 -1.71 135.00 137.88 2jr1 s PRO 23 Ca 0.34 -1.76 -0.21 0.00 0.04 0.00 0.00 61.00 59.41 2jr1 s PRO 23 Cb -0.16 -5.42 -0.10 0.00 0.04 0.00 0.00 34.50 28.85 2jr1 s PRO 23 CO 0.13 -2.19 0.87 0.45 0.04 0.00 0.00 177.00 176.31 2jr1 s SER 24 N 4.33 7.03 -0.89 6.66 0.15 -1.26 -5.00 113.70 124.73 2jr1 s SER 24 Ca 0.50 1.61 -0.25 0.00 0.70 0.00 0.00 55.95 58.51 2jr1 s SER 24 Cb 0.02 -2.50 0.04 0.00 -1.71 0.00 0.00 66.02 61.87 2jr1 s SER 24 CO 0.01 -0.19 1.38 -0.54 1.20 0.00 0.00 173.24 175.10 2jr1 s LYS 25 N -2.65 3.39 -0.22 5.44 3.01 -1.26 -4.49 119.74 122.96 2jr1 s LYS 25 Ca 0.54 -0.70 -0.05 0.00 -1.01 0.00 0.00 55.97 54.75 2jr1 s LYS 25 Cb -0.13 -4.81 -0.02 0.00 -1.01 0.00 0.00 37.83 31.86 2jr1 s LYS 25 CO 0.18 -2.20 0.01 0.00 0.51 0.00 0.00 175.35 173.86 2jr1 s ALA 26 N 5.41 3.03 -0.11 5.17 0.00 -1.26 -1.63 121.76 132.37 2jr1 s ALA 26 Ca 0.41 -1.05 0.00 0.00 0.00 0.00 0.00 51.96 51.32 2jr1 s ALA 26 Cb -0.04 -1.84 0.02 0.00 0.00 0.00 0.00 23.12 21.26 2jr1 s ALA 26 CO 0.02 -0.28 -0.10 0.15 0.00 0.00 0.00 175.76 175.55 2jr1 s LYS 27 N 1.23 1.72 -0.39 0.00 3.01 -1.19 -2.82 119.74 121.30 2jr1 s LYS 27 Ca 0.04 -0.35 -0.07 0.00 -1.01 0.00 0.00 55.97 54.58 2jr1 s LYS 27 Cb -0.15 -1.66 0.07 0.00 -1.01 0.00 0.00 37.83 35.09 2jr1 s LYS 27 CO 0.01 -0.20 0.19 1.03 0.51 0.00 0.00 175.35 176.89 2jr1 s ARG 28 N 1.46 2.50 -0.05 1.68 0.52 -1.17 -2.88 118.95 121.01 2jr1 s ARG 28 Ca 0.01 -1.42 -0.03 0.00 -0.52 0.00 0.00 55.73 53.76 2jr1 s ARG 28 Cb -0.13 -3.61 0.02 0.00 0.52 0.00 0.00 34.95 31.74 2jr1 s ARG 28 CO -0.06 -0.87 0.11 -1.21 0.02 0.00 0.00 175.30 173.29 2jr1 s GLU 29 N 1.36 0.11 -0.33 3.54 2.02 -1.13 -1.24 118.70 123.03 2jr1 s GLU 29 Ca 0.02 0.21 -0.11 0.00 0.02 0.00 0.00 54.97 55.10 2jr1 s GLU 29 Cb -0.22 -0.01 -0.01 0.00 0.10 0.00 0.00 34.13 33.99 2jr1 s GLU 29 CO 0.01 -0.06 0.20 0.00 0.02 0.00 0.00 175.26 175.43 2jr1 s ALA 30 N 0.38 3.40 0.00 5.21 0.00 -1.23 -1.56 121.76 127.96 2jr1 s ALA 30 Ca -0.03 -1.41 0.00 0.00 0.00 0.00 0.00 51.96 50.52 2jr1 s ALA 30 Cb -0.04 -2.55 0.00 0.00 0.00 0.00 0.00 23.12 20.53 2jr1 s ALA 30 CO -0.02 -0.98 0.00 -0.35 0.00 0.00 0.00 175.76 174.42 2jr1 n PRO 31 N 5.05 0.00 -4.17 0.00 -0.04 -1.26 -4.72 135.00 129.86 2jr1 n PRO 31 Ca -0.13 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.13 2jr1 n PRO 31 Cb 0.49 -0.01 -0.16 0.00 -0.04 0.00 0.00 33.50 33.78 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 0.00 0.52 -0.82 0.52 -4.36 -1.26 -4.70 121.20 111.10 2jr1 s ILE 32 Ca 0.00 -0.12 0.27 0.00 -0.26 0.00 0.00 60.65 60.54 2jr1 s ILE 32 Cb 0.00 -0.54 0.25 0.00 1.25 0.00 0.00 42.46 43.42 2jr1 s ILE 32 CO 0.00 0.22 1.79 1.17 0.24 0.00 0.00 174.94 178.36 2jr1 n LYS 33 N 4.00 0.18 -0.02 0.37 3.00 -1.26 -2.38 118.16 122.04 2jr1 n LYS 33 Ca -0.26 0.14 -0.13 0.00 -0.00 0.00 0.00 58.31 58.06 2jr1 n LYS 33 Cb 0.51 -1.70 -0.10 0.00 0.00 0.00 0.00 35.03 33.74 2jr1 n LYS 33 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.40 176.48 2jr1 h TYR 34 N 0.00 0.09 0.06 5.64 3.20 -1.98 -3.39 116.97 120.58 2jr1 h TYR 34 Ca 0.00 -0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.75 2jr1 h TYR 34 Cb 0.66 -0.02 0.01 0.00 1.54 0.00 0.00 36.73 38.92 2jr1 h TYR 34 CO 0.00 0.58 -0.41 2.35 -1.64 0.00 0.00 178.16 179.04 2jr1 h TRP 35 N -0.43 0.30 -3.35 -3.82 2.91 -2.02 -3.46 115.95 106.08 2jr1 h TRP 35 Ca 0.00 -0.21 -0.64 0.00 1.13 0.00 0.00 58.89 59.18 2jr1 h TRP 35 Cb 0.57 -0.02 -0.22 0.00 -0.51 0.00 0.00 29.16 28.98 2jr1 h TRP 35 CO 0.11 1.13 -0.67 -0.51 -1.03 0.00 0.00 178.44 177.47 2jr1 s LEU 36 N -8.13 3.24 0.48 0.65 1.43 -1.00 -5.04 118.68 110.31 2jr1 s LEU 36 Ca -0.16 -0.16 0.32 0.00 -1.03 0.00 0.00 54.13 53.10 2jr1 s LEU 36 Cb -0.01 -1.79 1.52 0.00 0.03 0.00 0.00 46.19 45.94 2jr1 s LEU 36 CO 0.76 0.13 1.97 1.55 0.23 0.00 0.00 176.35 180.99 2jr1 h PRO 37 N 7.00 0.00 -4.02 1.29 0.13 -1.85 -3.36 132.00 131.19 2jr1 h PRO 37 Ca -0.33 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.16 2jr1 h PRO 37 Cb 1.19 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.91 2jr1 h PRO 37 CO 0.62 0.00 -0.71 -1.58 -0.23 0.00 0.00 178.00 176.10 2jr1 s HIS 38 N -3.69 3.07 -0.63 1.56 2.46 -1.26 -5.03 115.29 111.76 2jr1 s HIS 38 Ca -0.00 -2.74 -0.27 0.00 0.47 0.00 0.00 55.06 52.51 2jr1 s HIS 38 Cb 0.10 -2.57 0.02 0.00 -0.13 0.00 0.00 32.58 30.00 2jr1 s HIS 38 CO 0.42 -0.88 1.41 -1.54 -2.47 0.00 0.00 174.74 171.68 2jr1 s SER 39 N 0.73 6.05 0.00 9.88 1.04 -1.26 -4.66 113.70 125.48 2jr1 s SER 39 Ca 0.13 0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.57 2jr1 s SER 39 Cb -0.21 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.36 2jr1 s SER 39 CO -0.09 -1.83 0.00 0.61 0.98 0.00 0.00 173.24 172.91 2jr1 n GLY 40 N 5.35 -0.68 3.12 7.32 0.00 -1.23 -4.64 105.19 114.42 2jr1 n GLY 40 Ca 0.10 0.33 -0.33 0.00 0.00 0.00 0.00 46.02 46.12 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 2.37 -0.42 4.61 0.00 -0.60 -4.82 121.76 122.90 2jr1 s ALA 41 Ca 0.00 -1.27 -0.23 0.00 0.00 0.00 0.00 51.96 50.46 2jr1 s ALA 41 Cb 0.00 -1.24 0.02 0.00 0.00 0.00 0.00 23.12 21.90 2jr1 s ALA 41 CO 0.00 -0.43 0.80 -0.08 0.00 0.00 0.00 175.76 176.04 2jr1 s THR 42 N 1.28 4.67 -0.35 0.00 -1.32 -1.26 -2.86 115.64 115.79 2jr1 s THR 42 Ca 0.04 0.64 -0.05 0.00 -1.21 0.00 0.00 61.69 61.10 2jr1 s THR 42 Cb -0.14 -4.29 0.06 0.00 -1.51 0.00 0.00 72.50 66.63 2jr1 s THR 42 CO -0.12 -0.62 0.12 0.86 -2.21 0.00 0.00 174.62 172.66 2jr1 s TRP 43 N 3.26 3.32 -0.81 9.09 -0.11 -1.14 -4.98 118.94 127.57 2jr1 s TRP 43 Ca 0.31 -1.70 -0.15 0.00 1.22 0.00 0.00 56.10 55.78 2jr1 s TRP 43 Cb -0.12 -2.50 0.21 0.00 -1.50 0.00 0.00 33.47 29.55 2jr1 s TRP 43 CO 0.21 -0.81 0.77 0.45 -4.62 0.00 0.00 176.95 172.96 2jr1 s SER 44 N 1.56 6.71 0.00 5.86 0.15 -1.26 -3.15 113.70 123.57 2jr1 s SER 44 Ca -0.00 -2.57 0.00 0.00 0.70 0.00 0.00 55.95 54.08 2jr1 s SER 44 Cb -0.21 -2.22 0.00 0.00 -1.71 0.00 0.00 66.02 61.88 2jr1 s SER 44 CO 0.01 -0.63 0.00 0.61 1.20 0.00 0.00 173.24 174.42 2jr1 n GLY 45 N 4.18 -1.33 3.72 9.45 0.00 -0.65 -4.81 105.19 115.75 2jr1 n GLY 45 Ca 0.12 0.44 -0.42 0.00 0.00 0.00 0.00 46.02 46.17 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 4.58 -1.10 1.61 3.00 -1.26 -4.21 118.95 121.56 2jr1 s ARG 46 Ca 0.00 1.57 -0.22 0.00 -1.00 0.00 0.00 55.73 56.08 2jr1 s ARG 46 Cb 0.00 -3.37 0.02 0.00 0.00 0.00 0.00 34.95 31.60 2jr1 s ARG 46 CO 0.00 0.00 1.70 0.20 0.00 0.00 0.00 175.30 177.20 2jr1 s GLY 47 N 0.50 1.01 -0.43 8.12 0.00 -1.26 -4.91 107.32 110.35 2jr1 s GLY 47 Ca 0.52 -2.30 -0.24 0.00 0.00 0.00 0.00 44.72 42.69 2jr1 s GLY 47 CO 0.30 2.98 0.86 -1.59 0.00 0.00 0.00 173.10 175.65 2jr1 s LYS 48 N 5.36 3.56 -0.26 2.90 0.00 -1.26 -5.04 119.74 124.99 2jr1 s LYS 48 Ca 0.56 0.15 0.00 0.00 0.00 0.00 0.00 55.97 56.68 2jr1 s LYS 48 Cb -0.00 -3.90 0.05 0.00 0.00 0.00 0.00 37.83 33.98 2jr1 s LYS 48 CO 0.00 -1.10 -0.07 0.42 0.00 0.00 0.00 175.35 174.60 2jr1 s ILE 49 N 3.48 2.55 0.00 3.79 1.09 -1.26 -4.79 121.20 126.07 2jr1 s ILE 49 Ca 0.34 -1.39 -0.04 0.00 -1.10 0.00 0.00 60.65 58.46 2jr1 s ILE 49 Cb -0.11 -2.42 -0.19 0.00 -1.06 0.00 0.00 42.46 38.68 2jr1 s ILE 49 CO 0.23 0.03 3.07 -0.81 -0.10 0.00 0.00 174.94 177.37 2jr1 n PRO 50 N 4.55 1.66 0.06 2.79 -0.04 -1.26 -4.56 135.00 138.20 2jr1 n PRO 50 Ca -0.15 -0.69 -0.11 0.00 -0.04 0.00 0.00 63.50 62.51 2jr1 n PRO 50 Cb 0.44 -1.70 -0.08 0.00 -0.04 0.00 0.00 33.50 32.12 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 2.49 -0.21 0.00 0.54 1.79 -1.98 -0.48 116.57 118.72 2jr1 h LYS 51 Ca 0.13 0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 58.60 2jr1 h LYS 51 Cb 1.33 0.05 -0.00 0.00 -1.58 0.00 0.00 32.23 32.02 2jr1 h LYS 51 CO 0.17 0.22 -0.09 -1.00 -1.08 0.00 0.00 179.45 177.67 2jr1 h PRO 52 N -0.80 0.00 0.27 3.15 0.13 -1.98 -2.39 132.00 130.38 2jr1 h PRO 52 Ca -0.02 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.09 2jr1 h PRO 52 Cb 0.53 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.66 2jr1 h PRO 52 CO 0.04 0.09 -0.13 0.35 -0.23 0.00 0.00 178.00 178.12 2jr1 h PHE 53 N 0.00 -0.33 0.00 1.56 3.57 -1.89 -2.54 116.94 117.30 2jr1 h PHE 53 Ca -0.00 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 2jr1 h PHE 53 Cb 0.31 0.11 -0.00 0.00 2.79 0.00 0.00 35.95 39.16 2jr1 h PHE 53 CO 0.00 -0.21 -0.05 1.49 -2.23 0.00 0.00 178.31 177.31 2jr1 h GLU 54 N -0.79 0.00 0.20 1.11 4.81 -1.17 0.11 114.58 118.85 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 0.28 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.66 2jr1 h GLU 54 CO 0.06 0.05 -0.10 0.00 -0.73 0.00 0.00 179.01 178.30 2jr1 h ALA 55 N 1.95 -0.27 -0.52 2.92 0.00 -1.58 -2.51 119.26 119.25 2jr1 h ALA 55 Ca -0.00 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.62 2jr1 h ALA 55 Cb 0.13 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2jr1 h ALA 55 CO 0.01 -0.45 -0.03 2.35 0.00 0.00 0.00 179.25 181.13 2jr1 h TRP 56 N -0.67 0.99 0.00 0.00 2.91 -1.19 0.21 115.95 118.20 2jr1 h TRP 56 Ca -0.03 -0.17 0.00 0.00 1.13 0.00 0.00 58.89 59.83 2jr1 h TRP 56 Cb 0.48 -0.26 0.00 0.00 -0.51 0.00 0.00 29.16 28.87 2jr1 h TRP 56 CO 0.04 0.91 0.00 -0.89 -1.03 0.00 0.00 178.44 177.48 2jr1 n ILE 57 N -4.18 0.95 -0.07 2.65 2.08 0.36 -3.13 119.36 118.01 2jr1 n ILE 57 Ca 0.02 0.24 -0.09 0.00 0.56 0.00 0.00 62.75 63.48 2jr1 n ILE 57 Cb 0.34 -1.19 -0.08 0.00 -0.75 0.00 0.00 39.64 37.96 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 -1.03 -0.35 0.33 7.39 0.00 -0.45 -3.43 105.19 107.66 2jr1 n GLY 58 Ca 0.01 -0.14 0.07 0.00 0.00 0.00 0.00 46.02 45.96 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 0.08 0.00 2.61 2.02 -0.59 -2.50 112.91 114.53 2jr1 h THR 59 Ca -0.35 -0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.83 2jr1 h THR 59 Cb 1.62 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 68.10 2jr1 h THR 59 CO -0.03 0.00 -0.96 0.00 0.37 0.00 0.00 175.52 174.90 2jr1 n ALA 60 N -3.39 1.96 0.27 6.16 0.00 -1.26 -4.87 120.51 119.39 2jr1 n ALA 60 Ca 0.16 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.75 2jr1 n ALA 60 Cb 0.53 0.24 0.77 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 1.19 -0.73 0.00 0.00 -1.76 -3.33 119.26 114.63 2jr1 h ALA 61 Ca 0.00 -0.08 0.13 0.00 0.00 0.00 0.00 54.91 54.95 2jr1 h ALA 61 Cb 0.96 -0.01 -0.13 0.00 0.00 0.00 0.00 17.79 18.60 2jr1 h ALA 61 CO 0.00 0.11 -0.32 -0.92 0.00 0.00 0.00 179.25 178.12 2jr1 h TYR 62 N 0.00 -0.87 -0.91 0.00 3.20 -1.47 0.73 116.97 117.65 2jr1 h TYR 62 Ca -0.00 0.08 0.05 0.00 3.14 0.00 0.00 58.73 62.00 2jr1 h TYR 62 Cb 0.34 0.49 -0.06 0.00 1.54 0.00 0.00 36.73 39.04 2jr1 h TYR 62 CO 0.00 -0.38 0.60 0.00 -1.64 0.00 0.00 178.16 176.74 2jr1 h THR 63 N -0.09 1.11 -0.41 1.81 1.03 -1.84 0.78 112.91 115.29 2jr1 h THR 63 Ca 0.29 -0.37 -0.15 0.00 -0.01 0.00 0.00 66.41 66.17 2jr1 h THR 63 Cb 0.57 -0.08 -0.01 0.00 -1.07 0.00 0.00 68.15 67.56 2jr1 h THR 63 CO -0.78 0.20 -0.32 0.00 -0.01 0.00 0.00 175.52 174.61 2jr1 h ALA 64 N 1.49 0.65 -0.52 0.00 0.00 -1.62 -3.24 119.26 116.01 2jr1 h ALA 64 Ca 0.38 -0.43 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 2jr1 h ALA 64 Cb 0.12 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2jr1 h ALA 64 CO -0.13 0.67 0.15 2.35 0.00 0.00 0.00 179.25 182.29 2jr1 h TRP 65 N 0.78 0.80 0.00 0.00 7.01 -0.42 -3.15 115.95 120.98 2jr1 h TRP 65 Ca 0.08 -0.06 -0.04 0.00 2.11 0.00 0.00 58.89 60.98 2jr1 h TRP 65 Cb 0.90 -0.24 -0.01 0.00 -2.10 0.00 0.00 29.16 27.71 2jr1 h TRP 65 CO 0.06 0.67 -0.20 0.87 -2.79 0.00 0.00 178.44 177.04 2jr1 h LYS 66 N 0.76 0.00 -0.38 2.65 1.79 -0.93 -1.32 116.57 119.15 2jr1 h LYS 66 Ca 0.17 0.00 -0.12 0.00 -2.18 0.00 0.00 60.65 58.52 2jr1 h LYS 66 Cb 0.25 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.89 2jr1 h LYS 66 CO -0.01 0.20 -0.25 0.00 -1.08 0.00 0.00 179.45 178.32 2jr1 h ALA 67 N 1.80 0.86 0.08 3.86 0.00 -1.57 -3.39 119.26 120.90 2jr1 h ALA 67 Ca -0.00 -0.38 -0.14 0.00 0.00 0.00 0.00 54.91 54.38 2jr1 h ALA 67 Cb 0.50 -0.15 0.02 0.00 0.00 0.00 0.00 17.79 18.16 2jr1 h ALA 67 CO 0.03 0.63 -0.61 0.87 0.00 0.00 0.00 179.25 180.17 2jr1 h LYS 68 N 0.66 0.27 -5.32 0.00 1.57 -1.44 -3.48 116.57 108.83 2jr1 h LYS 68 Ca 0.09 -0.40 -0.39 0.00 -1.87 0.00 0.00 60.65 58.07 2jr1 h LYS 68 Cb 0.76 0.14 -0.18 0.00 0.08 0.00 0.00 32.23 33.03 2jr1 h LYS 68 CO 0.06 1.15 -0.75 -1.01 -0.57 0.00 0.00 179.45 178.33 2jr1 s HIS 69 N -2.63 1.34 0.00 -1.35 3.76 -0.53 -5.13 115.29 110.76 2jr1 s HIS 69 Ca -0.14 -0.59 0.00 0.00 -0.15 0.00 0.00 55.06 54.18 2jr1 s HIS 69 Cb 0.01 -0.70 0.00 0.00 1.11 0.00 0.00 32.58 33.00 2jr1 s HIS 69 CO 0.80 0.12 0.14 -0.35 -0.85 0.00 0.00 174.74 174.60 2jr1 n PRO 70 N 0.46 0.00 -2.51 8.40 -0.04 -1.26 -4.18 135.00 135.87 2jr1 n PRO 70 Ca -0.15 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.11 2jr1 n PRO 70 Cb 0.57 -0.54 0.01 0.00 -0.04 0.00 0.00 33.50 33.50 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 -0.19 3.53 -0.02 3.54 2.03 -1.26 -4.74 116.55 119.44 2jr1 n ASP 71 Ca 0.00 -3.31 -0.12 0.00 0.52 0.00 0.00 54.79 51.88 2jr1 n ASP 71 Cb 0.00 -0.47 0.01 0.00 -0.72 0.00 0.00 41.12 39.94 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 2.68 0.66 -6.70 -0.67 4.81 -1.95 -3.43 114.58 109.97 2jr1 h GLU 72 Ca 0.16 -0.45 -0.50 0.00 -0.13 0.00 0.00 59.36 58.44 2jr1 h GLU 72 Cb 1.08 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.50 2jr1 h GLU 72 CO 0.69 1.07 0.28 0.21 -0.73 0.00 0.00 179.01 180.53 2jr1 s LYS 73 N -3.95 4.67 0.29 1.92 2.20 -1.26 -4.20 119.74 119.41 2jr1 s LYS 73 Ca -0.08 1.31 -0.29 0.00 -0.36 0.00 0.00 55.97 56.54 2jr1 s LYS 73 Cb 0.10 -3.13 -0.10 0.00 -1.51 0.00 0.00 37.83 33.19 2jr1 s LYS 73 CO 0.86 0.47 1.39 0.12 -0.36 0.00 0.00 175.35 177.83 2jr1 s PHE 74 N -1.30 3.01 -1.00 4.03 5.36 -1.26 -4.90 117.98 121.91 2jr1 s PHE 74 Ca 0.42 1.19 -0.21 0.00 -0.96 0.00 0.00 56.93 57.37 2jr1 s PHE 74 Cb -0.23 -3.77 -0.10 0.00 -0.34 0.00 0.00 43.02 38.58 2jr1 s PHE 74 CO 0.28 -2.35 1.95 -0.35 -1.46 0.00 0.00 175.22 173.28 2jr1 n PRO 75 N 1.62 1.81 -3.41 10.12 -0.04 -1.26 -4.93 135.00 138.92 2jr1 n PRO 75 Ca 0.04 -2.22 -0.38 0.00 -0.04 0.00 0.00 63.50 60.91 2jr1 n PRO 75 Cb 0.41 -3.23 -0.07 0.00 -0.04 0.00 0.00 33.50 30.57 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 6.41 3.55 0.36 0.55 0.00 -1.26 -5.10 121.76 126.26 2jr1 s ALA 76 Ca 0.59 -0.43 0.01 0.00 0.00 0.00 0.00 51.96 52.13 2jr1 s ALA 76 Cb 0.09 -2.58 -0.02 0.00 0.00 0.00 0.00 23.12 20.61 2jr1 s ALA 76 CO 0.10 -0.13 0.55 -0.59 0.00 0.00 0.00 175.76 175.69 2jr1 s PHE 77 N 0.94 3.40 -0.52 0.00 -0.71 -1.26 -4.35 117.98 115.48 2jr1 s PHE 77 Ca 0.20 0.24 -0.28 0.00 -1.04 0.00 0.00 56.93 56.05 2jr1 s PHE 77 Cb -0.14 -1.97 0.01 0.00 -1.21 0.00 0.00 43.02 39.71 2jr1 s PHE 77 CO 0.07 0.03 1.44 -1.25 -1.34 0.00 0.00 175.22 174.17 2jr1 s PRO 78 N -4.33 3.35 0.00 1.99 0.04 -1.26 -4.71 135.00 130.07 2jr1 s PRO 78 Ca 0.42 0.61 0.00 0.00 0.04 0.00 0.00 61.00 62.06 2jr1 s PRO 78 Cb -0.10 -4.11 0.00 0.00 0.04 0.00 0.00 34.50 30.33 2jr1 s PRO 78 CO 0.35 -1.87 0.05 0.41 0.04 0.00 0.00 177.00 175.98