#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 0.26 -3.61 -2.13 -0.73 -2.05 -3.41 115.58 103.91 2jr1 h ASN 2 Ca 0.00 -0.53 -0.70 0.00 1.87 0.00 0.00 56.30 56.94 2jr1 h ASN 2 Cb 0.00 -0.08 -0.24 0.00 0.27 0.00 0.00 38.32 38.28 2jr1 h ASN 2 CO 0.00 0.74 -0.53 0.54 -0.37 0.00 0.00 177.43 177.82 2jr1 s VAL 3 N -4.10 4.61 -0.13 2.57 0.11 -1.26 -4.96 120.40 117.24 2jr1 s VAL 3 Ca -0.15 -0.70 -0.05 0.00 -2.93 0.00 0.00 61.98 58.15 2jr1 s VAL 3 Cb 0.04 -3.49 0.06 0.00 -1.53 0.00 0.00 36.38 31.45 2jr1 s VAL 3 CO 0.73 -0.13 0.27 -0.75 -3.33 0.00 0.00 175.10 171.89 2jr1 s LYS 4 N 1.58 0.18 1.06 1.54 2.20 -1.26 -5.16 119.74 119.88 2jr1 s LYS 4 Ca 0.03 0.69 -0.12 0.00 -0.36 0.00 0.00 55.97 56.21 2jr1 s LYS 4 Cb -0.18 -0.05 0.23 0.00 -1.51 0.00 0.00 37.83 36.31 2jr1 s LYS 4 CO 0.07 -0.24 1.06 -0.65 -0.36 0.00 0.00 175.35 175.23 2jr1 s GLN 5 N 2.01 -0.12 0.23 4.03 -1.52 -1.26 -4.90 119.66 118.13 2jr1 s GLN 5 Ca -0.03 0.83 -0.14 0.00 -1.95 0.00 0.00 55.36 54.08 2jr1 s GLN 5 Cb -0.11 -1.65 -0.08 0.00 -0.22 0.00 0.00 33.01 30.95 2jr1 s GLN 5 CO -0.09 -3.18 0.62 0.15 -0.25 0.00 0.00 175.29 172.54 2jr1 s LYS 6 N -4.67 3.96 -0.20 2.91 -0.14 -1.26 -5.05 119.74 115.29 2jr1 s LYS 6 Ca 0.67 0.51 0.01 0.00 -1.36 0.00 0.00 55.97 55.80 2jr1 s LYS 6 Cb -0.22 -2.71 0.03 0.00 -1.68 0.00 0.00 37.83 33.24 2jr1 s LYS 6 CO 0.61 0.34 -0.16 -1.12 -0.76 0.00 0.00 175.35 174.26 2jr1 s SER 7 N -2.05 3.54 -0.40 2.83 0.01 -1.26 -4.98 113.70 111.40 2jr1 s SER 7 Ca 0.45 -0.80 0.00 0.00 1.31 0.00 0.00 55.95 56.92 2jr1 s SER 7 Cb -0.13 -1.52 0.11 0.00 0.21 0.00 0.00 66.02 64.69 2jr1 s SER 7 CO 0.20 -0.05 0.16 -1.61 0.41 0.00 0.00 173.24 172.35 2jr1 s GLU 8 N 1.27 1.84 -0.04 12.44 2.02 -1.24 -2.37 118.70 132.61 2jr1 s GLU 8 Ca 0.02 -1.92 0.04 0.00 0.02 0.00 0.00 54.97 53.13 2jr1 s GLU 8 Cb -0.15 -3.44 -0.03 0.00 0.10 0.00 0.00 34.13 30.62 2jr1 s GLU 8 CO -0.10 -1.03 -0.15 0.42 0.02 0.00 0.00 175.26 174.42 2jr1 s ILE 9 N 0.91 3.03 0.74 -1.63 -1.09 -0.40 -5.03 121.20 117.74 2jr1 s ILE 9 Ca 0.10 -0.78 -0.12 0.00 -2.23 0.00 0.00 60.65 57.62 2jr1 s ILE 9 Cb -0.21 -2.20 0.04 0.00 -1.58 0.00 0.00 42.46 38.51 2jr1 s ILE 9 CO -0.05 0.56 1.10 -0.89 -1.23 0.00 0.00 174.94 174.42 2jr1 s THR 10 N -0.76 3.25 0.44 2.92 2.01 -1.26 -3.34 115.64 118.89 2jr1 s THR 10 Ca 0.12 0.47 -0.25 0.00 0.31 0.00 0.00 61.69 62.33 2jr1 s THR 10 Cb -0.11 -2.95 -0.08 0.00 0.01 0.00 0.00 72.50 69.37 2jr1 s THR 10 CO 0.01 -0.47 1.35 0.00 -0.69 0.00 0.00 174.62 174.82 2jr1 s ALA 11 N -2.69 3.21 0.09 7.40 0.00 -1.15 -4.89 121.76 123.73 2jr1 s ALA 11 Ca 0.63 1.31 0.08 0.00 0.00 0.00 0.00 51.96 53.99 2jr1 s ALA 11 Cb -0.19 -3.53 -0.03 0.00 0.00 0.00 0.00 23.12 19.37 2jr1 s ALA 11 CO 0.51 -1.00 -0.21 -1.17 0.00 0.00 0.00 175.76 173.90 2jr1 s LEU 12 N -2.65 2.28 0.32 0.00 2.96 -1.26 -4.96 118.68 115.37 2jr1 s LEU 12 Ca 0.60 -0.65 -0.29 0.00 -0.22 0.00 0.00 54.13 53.56 2jr1 s LEU 12 Cb -0.40 -0.88 -0.11 0.00 0.50 0.00 0.00 46.19 45.30 2jr1 s LEU 12 CO 0.51 0.07 1.53 0.68 -1.32 0.00 0.00 176.35 177.82 2jr1 s VAL 13 N -1.10 2.14 0.50 1.68 -7.23 -1.26 -4.47 120.40 110.65 2jr1 s VAL 13 Ca 0.06 0.12 -0.21 0.00 -1.81 0.00 0.00 61.98 60.14 2jr1 s VAL 13 Cb -0.10 -3.08 -0.07 0.00 0.56 0.00 0.00 36.38 33.70 2jr1 s VAL 13 CO 0.04 0.02 1.13 -0.75 -0.31 0.00 0.00 175.10 175.24 2jr1 s LYS 14 N -1.13 3.57 -0.16 4.82 2.20 -0.85 -4.96 119.74 123.23 2jr1 s LYS 14 Ca 0.58 1.66 -0.29 0.00 -0.36 0.00 0.00 55.97 57.56 2jr1 s LYS 14 Cb -0.47 -2.19 -0.04 0.00 -1.51 0.00 0.00 37.83 33.62 2jr1 s LYS 14 CO 0.53 -0.68 1.75 -1.83 -0.36 0.00 0.00 175.35 174.76 2jr1 s GLU 15 N -3.02 3.81 -0.06 4.03 1.03 -1.26 -4.58 118.70 118.66 2jr1 s GLU 15 Ca 0.68 1.92 -0.03 0.00 0.03 0.00 0.00 54.97 57.57 2jr1 s GLU 15 Cb -0.25 -4.09 0.03 0.00 -0.80 0.00 0.00 34.13 29.02 2jr1 s GLU 15 CO 0.30 -1.28 0.13 0.08 -1.33 0.00 0.00 175.26 173.15 2jr1 s VAL 16 N 5.32 -0.04 -0.04 1.83 1.01 -1.26 -5.06 120.40 122.16 2jr1 s VAL 16 Ca 0.78 0.14 -0.22 0.00 0.00 0.00 0.00 61.98 62.68 2jr1 s VAL 16 Cb -0.30 -0.21 -0.16 0.00 0.00 0.00 0.00 36.38 35.72 2jr1 s VAL 16 CO 0.32 0.06 0.95 0.74 0.00 0.00 0.00 175.10 177.16 2jr1 h THR 17 N 5.85 0.85 -4.13 3.92 2.02 -1.95 -3.46 112.91 116.02 2jr1 h THR 17 Ca -0.39 -1.05 -0.49 0.00 0.77 0.00 0.00 66.41 65.25 2jr1 h THR 17 Cb 1.15 1.40 0.14 0.00 -1.74 0.00 0.00 68.15 69.11 2jr1 h THR 17 CO 0.43 0.21 0.27 -2.16 0.37 0.00 0.00 175.52 174.64 2jr1 s PRO 18 N -3.65 1.46 -1.23 6.66 0.04 -1.26 -4.93 135.00 132.11 2jr1 s PRO 18 Ca -0.13 0.87 -0.19 0.00 0.04 0.00 0.00 61.00 61.58 2jr1 s PRO 18 Cb 0.01 -1.83 -0.01 0.00 0.04 0.00 0.00 34.50 32.71 2jr1 s PRO 18 CO 0.50 -2.11 1.91 -0.35 0.04 0.00 0.00 177.00 176.98 2jr1 n PRO 19 N -3.80 2.47 -3.67 0.56 -0.04 -1.26 -4.84 135.00 124.42 2jr1 n PRO 19 Ca 0.07 -2.74 -0.11 0.00 -0.04 0.00 0.00 63.50 60.68 2jr1 n PRO 19 Cb 0.55 -3.44 -0.08 0.00 -0.04 0.00 0.00 33.50 30.48 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 4.75 0.65 -0.11 0.54 3.52 -1.26 -5.18 118.95 121.86 2jr1 s ARG 20 Ca 0.57 0.93 0.03 0.00 -0.13 0.00 0.00 55.73 57.12 2jr1 s ARG 20 Cb 0.06 0.23 0.01 0.00 -1.56 0.00 0.00 34.95 33.69 2jr1 s ARG 20 CO 0.07 -0.11 -0.19 0.15 -0.81 0.00 0.00 175.30 174.40 2jr1 s LYS 21 N 0.84 2.61 -0.04 5.12 -0.14 -1.26 -4.72 119.74 122.15 2jr1 s LYS 21 Ca -0.04 -0.71 -0.13 0.00 -1.36 0.00 0.00 55.97 53.73 2jr1 s LYS 21 Cb -0.05 -2.11 -0.05 0.00 -1.68 0.00 0.00 37.83 33.94 2jr1 s LYS 21 CO -0.07 0.02 0.33 0.00 -0.76 0.00 0.00 175.35 174.87 2jr1 s ALA 22 N 0.75 3.73 -1.30 5.17 0.00 -1.26 -4.95 121.76 123.90 2jr1 s ALA 22 Ca -0.10 -0.34 -0.16 0.00 0.00 0.00 0.00 51.96 51.36 2jr1 s ALA 22 Cb -0.16 -2.29 0.10 0.00 0.00 0.00 0.00 23.12 20.77 2jr1 s ALA 22 CO 0.01 0.48 1.74 -0.35 0.00 0.00 0.00 175.76 177.64 2jr1 n PRO 23 N 2.00 3.22 -2.61 0.00 -0.04 -1.26 -2.01 135.00 134.31 2jr1 n PRO 23 Ca -0.15 -3.35 -0.40 0.00 -0.04 0.00 0.00 63.50 59.55 2jr1 n PRO 23 Cb 0.53 -3.33 -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 3.56 7.42 -0.87 3.54 0.15 -1.26 -4.99 113.70 121.25 2jr1 s SER 24 Ca 0.50 2.07 -0.23 0.00 0.70 0.00 0.00 55.95 58.98 2jr1 s SER 24 Cb 0.04 -2.61 0.06 0.00 -1.71 0.00 0.00 66.02 61.80 2jr1 s SER 24 CO 0.04 -0.05 1.28 -0.54 1.20 0.00 0.00 173.24 175.17 2jr1 s LYS 25 N -0.95 3.41 -0.25 5.44 3.01 -1.26 -4.50 119.74 124.64 2jr1 s LYS 25 Ca 0.45 -0.92 -0.06 0.00 -1.01 0.00 0.00 55.97 54.42 2jr1 s LYS 25 Cb -0.28 -4.79 -0.02 0.00 -1.01 0.00 0.00 37.83 31.73 2jr1 s LYS 25 CO 0.35 -2.07 0.04 0.00 0.51 0.00 0.00 175.35 174.18 2jr1 s ALA 26 N 4.72 3.05 -0.18 5.17 0.00 -1.26 -1.67 121.76 131.58 2jr1 s ALA 26 Ca 0.37 -1.19 -0.00 0.00 0.00 0.00 0.00 51.96 51.14 2jr1 s ALA 26 Cb -0.05 -1.98 0.04 0.00 0.00 0.00 0.00 23.12 21.13 2jr1 s ALA 26 CO 0.00 -0.54 -0.07 0.15 0.00 0.00 0.00 175.76 175.31 2jr1 s LYS 27 N 1.56 1.62 -0.56 0.00 3.01 -0.79 -2.92 119.74 121.66 2jr1 s LYS 27 Ca 0.06 -0.62 -0.12 0.00 -1.01 0.00 0.00 55.97 54.27 2jr1 s LYS 27 Cb -0.15 -2.14 0.14 0.00 -1.01 0.00 0.00 37.83 34.67 2jr1 s LYS 27 CO 0.01 -0.43 0.48 1.03 0.51 0.00 0.00 175.35 176.95 2jr1 s ARG 28 N 1.56 2.85 -0.06 1.68 0.52 -1.21 -2.41 118.95 121.88 2jr1 s ARG 28 Ca 0.00 -1.89 -0.03 0.00 -0.52 0.00 0.00 55.73 53.29 2jr1 s ARG 28 Cb -0.16 -4.14 0.04 0.00 0.52 0.00 0.00 34.95 31.21 2jr1 s ARG 28 CO -0.08 -1.26 0.07 -1.21 0.02 0.00 0.00 175.30 172.84 2jr1 s GLU 29 N 1.19 -0.05 -0.13 3.54 2.02 -1.21 -1.27 118.70 122.80 2jr1 s GLU 29 Ca 0.07 0.33 -0.24 0.00 0.02 0.00 0.00 54.97 55.15 2jr1 s GLU 29 Cb -0.25 -0.68 -0.03 0.00 0.10 0.00 0.00 34.13 33.28 2jr1 s GLU 29 CO -0.01 -0.38 0.74 0.00 0.02 0.00 0.00 175.26 175.64 2jr1 s ALA 30 N 2.18 3.43 0.00 5.21 0.00 -1.00 -3.83 121.76 127.75 2jr1 s ALA 30 Ca 0.04 0.03 0.00 0.00 0.00 0.00 0.00 51.96 52.03 2jr1 s ALA 30 Cb -0.13 -3.06 0.00 0.00 0.00 0.00 0.00 23.12 19.93 2jr1 s ALA 30 CO -0.04 -0.38 0.00 -0.35 0.00 0.00 0.00 175.76 174.99 2jr1 n PRO 31 N 4.53 0.00 -4.52 0.00 -0.04 -1.26 -4.78 135.00 128.92 2jr1 n PRO 31 Ca 0.01 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.23 2jr1 n PRO 31 Cb 0.50 0.00 -0.14 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 1.22 1.57 0.16 0.52 -4.36 -1.26 -4.64 121.20 114.41 2jr1 s ILE 32 Ca 0.00 -1.22 0.08 0.00 -0.26 0.00 0.00 60.65 59.25 2jr1 s ILE 32 Cb 0.00 -1.38 -0.16 0.00 1.25 0.00 0.00 42.46 42.17 2jr1 s ILE 32 CO 0.00 0.12 1.37 0.50 0.24 0.00 0.00 174.94 177.17 2jr1 h LYS 33 N 4.74 0.01 -0.43 0.37 1.63 -1.94 -3.19 116.57 117.76 2jr1 h LYS 33 Ca -0.42 -0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 59.35 2jr1 h LYS 33 Cb 1.17 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.78 2jr1 h LYS 33 CO 0.43 0.90 0.17 -0.92 -3.45 0.00 0.00 179.45 176.58 2jr1 h TYR 34 N 0.00 0.61 0.04 1.91 3.20 -1.98 -3.28 116.97 117.48 2jr1 h TYR 34 Ca -0.01 -0.02 -0.35 0.00 3.14 0.00 0.00 58.73 61.49 2jr1 h TYR 34 Cb 1.58 -0.19 -0.05 0.00 1.54 0.00 0.00 36.73 39.61 2jr1 h TYR 34 CO 0.00 0.48 -2.09 1.87 -1.64 0.00 0.00 178.16 176.78 2jr1 n TRP 35 N -4.37 0.71 -4.60 -3.82 -0.00 -1.26 -4.98 117.44 99.11 2jr1 n TRP 35 Ca 0.03 0.19 -0.24 0.00 -0.00 0.00 0.00 57.50 57.48 2jr1 n TRP 35 Cb 0.15 -1.11 -0.16 0.00 -0.00 0.00 0.00 31.31 30.19 2jr1 n TRP 35 CO 0.00 0.00 0.00 -0.48 -0.00 0.00 0.00 177.69 177.21 2jr1 s LEU 36 N -6.41 1.69 0.18 5.87 2.34 -1.21 -5.07 118.68 116.07 2jr1 s LEU 36 Ca -0.18 -0.30 0.19 0.00 0.06 0.00 0.00 54.13 53.90 2jr1 s LEU 36 Cb 0.07 -0.83 0.84 0.00 -0.56 0.00 0.00 46.19 45.72 2jr1 s LEU 36 CO 0.76 0.05 1.59 -0.81 -1.06 0.00 0.00 176.35 176.88 2jr1 n PRO 37 N 3.70 0.12 -3.92 1.48 -0.04 -1.26 -4.15 135.00 130.93 2jr1 n PRO 37 Ca -0.22 0.40 -0.31 0.00 -0.04 0.00 0.00 63.50 63.34 2jr1 n PRO 37 Cb 0.52 -1.76 -0.15 0.00 -0.04 0.00 0.00 33.50 32.07 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 -3.24 2.93 -0.58 0.54 2.46 -1.26 -4.91 115.29 111.24 2jr1 s HIS 38 Ca 0.04 -2.42 -0.27 0.00 0.47 0.00 0.00 55.06 52.88 2jr1 s HIS 38 Cb 0.08 -2.33 0.03 0.00 -0.13 0.00 0.00 32.58 30.23 2jr1 s HIS 38 CO 0.31 -0.90 1.14 -1.12 -2.47 0.00 0.00 174.74 171.70 2jr1 s SER 39 N 1.20 6.42 0.00 9.88 0.01 -1.26 -4.63 113.70 125.31 2jr1 s SER 39 Ca 0.08 -0.01 0.00 0.00 1.31 0.00 0.00 55.95 57.32 2jr1 s SER 39 Cb -0.18 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.52 2jr1 s SER 39 CO -0.13 -1.43 0.00 0.61 0.41 0.00 0.00 173.24 172.70 2jr1 n GLY 40 N 5.08 1.24 3.16 3.44 0.00 -1.26 -4.75 105.19 112.11 2jr1 n GLY 40 Ca 0.07 -0.35 -0.27 0.00 0.00 0.00 0.00 46.02 45.47 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 1.64 -0.45 4.61 0.00 -1.25 -4.95 121.76 121.36 2jr1 s ALA 41 Ca 0.00 -0.76 -0.23 0.00 0.00 0.00 0.00 51.96 50.96 2jr1 s ALA 41 Cb 0.00 -0.52 0.03 0.00 0.00 0.00 0.00 23.12 22.62 2jr1 s ALA 41 CO 0.00 0.31 0.78 -0.08 0.00 0.00 0.00 175.76 176.77 2jr1 s THR 42 N -0.05 4.65 -0.42 0.00 -1.32 -1.26 -3.34 115.64 113.90 2jr1 s THR 42 Ca -0.03 0.42 -0.10 0.00 -1.21 0.00 0.00 61.69 60.78 2jr1 s THR 42 Cb -0.11 -4.32 0.07 0.00 -1.51 0.00 0.00 72.50 66.63 2jr1 s THR 42 CO 0.02 -0.71 0.26 0.86 -2.21 0.00 0.00 174.62 172.84 2jr1 s TRP 43 N 3.28 3.32 -0.61 9.09 -0.11 -1.01 -4.99 118.94 127.90 2jr1 s TRP 43 Ca 0.30 -1.44 -0.15 0.00 1.22 0.00 0.00 56.10 56.03 2jr1 s TRP 43 Cb -0.12 -2.91 0.15 0.00 -1.50 0.00 0.00 33.47 29.09 2jr1 s TRP 43 CO 0.23 -0.82 0.56 -1.54 -4.62 0.00 0.00 176.95 170.75 2jr1 s SER 44 N 2.08 6.30 0.00 5.86 1.04 -1.26 -1.88 113.70 125.84 2jr1 s SER 44 Ca 0.03 -2.05 0.00 0.00 0.48 0.00 0.00 55.95 54.41 2jr1 s SER 44 Cb -0.23 -2.19 0.00 0.00 0.10 0.00 0.00 66.02 63.70 2jr1 s SER 44 CO 0.03 -0.77 0.00 0.61 0.98 0.00 0.00 173.24 174.09 2jr1 n GLY 45 N 4.87 -0.87 3.78 7.32 0.00 -0.67 -4.89 105.19 114.72 2jr1 n GLY 45 Ca -0.06 0.31 -0.37 0.00 0.00 0.00 0.00 46.02 45.90 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 4.40 -1.08 1.61 3.00 -1.26 -4.07 118.95 121.55 2jr1 s ARG 46 Ca 0.00 1.48 -0.23 0.00 -1.00 0.00 0.00 55.73 55.98 2jr1 s ARG 46 Cb 0.00 -2.74 -0.07 0.00 0.00 0.00 0.00 34.95 32.14 2jr1 s ARG 46 CO 0.00 0.08 1.93 0.20 0.00 0.00 0.00 175.30 177.51 2jr1 s GLY 47 N -1.48 0.22 -0.63 8.12 0.00 -1.26 -4.86 107.32 107.43 2jr1 s GLY 47 Ca 0.53 -1.93 -0.22 0.00 0.00 0.00 0.00 44.72 43.10 2jr1 s GLY 47 CO 0.28 3.50 0.92 1.25 0.00 0.00 0.00 173.10 179.05 2jr1 s LYS 48 N 6.60 3.15 -0.30 2.90 2.36 -1.26 -5.01 119.74 128.18 2jr1 s LYS 48 Ca 0.68 -0.76 0.03 0.00 -2.55 0.00 0.00 55.97 53.37 2jr1 s LYS 48 Cb -0.03 -4.19 0.07 0.00 -1.05 0.00 0.00 37.83 32.63 2jr1 s LYS 48 CO 0.07 -1.70 -0.03 0.42 1.55 0.00 0.00 175.35 175.66 2jr1 s ILE 49 N 3.87 2.34 0.00 5.43 1.09 -1.26 -4.70 121.20 127.97 2jr1 s ILE 49 Ca 0.23 -1.85 -0.04 0.00 -1.10 0.00 0.00 60.65 57.88 2jr1 s ILE 49 Cb -0.17 -2.50 -0.20 0.00 -1.06 0.00 0.00 42.46 38.54 2jr1 s ILE 49 CO 0.12 -0.25 3.18 -0.81 -0.10 0.00 0.00 174.94 177.08 2jr1 n PRO 50 N 4.40 1.72 0.15 2.79 -0.04 -1.26 -4.52 135.00 138.25 2jr1 n PRO 50 Ca -0.08 -0.73 -0.10 0.00 -0.04 0.00 0.00 63.50 62.55 2jr1 n PRO 50 Cb 0.42 -1.74 -0.06 0.00 -0.04 0.00 0.00 33.50 32.08 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 2.52 -0.44 0.00 0.54 1.79 -1.98 -0.54 116.57 118.46 2jr1 h LYS 51 Ca 0.14 0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.63 2jr1 h LYS 51 Cb 1.37 0.10 -0.00 0.00 -1.58 0.00 0.00 32.23 32.12 2jr1 h LYS 51 CO 0.17 -0.16 -0.03 -1.00 -1.08 0.00 0.00 179.45 177.35 2jr1 h PRO 52 N -1.02 0.00 0.14 3.15 0.13 -1.98 -1.41 132.00 131.01 2jr1 h PRO 52 Ca -0.05 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.08 2jr1 h PRO 52 Cb 0.49 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.62 2jr1 h PRO 52 CO 0.08 0.03 -0.07 0.35 -0.23 0.00 0.00 178.00 178.17 2jr1 h PHE 53 N 0.00 -0.17 0.00 1.56 3.57 -1.89 -2.98 116.94 117.04 2jr1 h PHE 53 Ca -0.00 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 2jr1 h PHE 53 Cb 0.10 0.06 -0.00 0.00 2.79 0.00 0.00 35.95 38.90 2jr1 h PHE 53 CO 0.00 -0.11 -0.09 1.49 -2.23 0.00 0.00 178.31 177.37 2jr1 h GLU 54 N -0.43 0.00 -0.04 1.11 4.81 -1.12 0.11 114.58 119.02 2jr1 h GLU 54 Ca -0.02 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.19 2jr1 h GLU 54 Cb 0.14 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.52 2jr1 h GLU 54 CO 0.03 0.09 -0.04 0.00 -0.73 0.00 0.00 179.01 178.36 2jr1 h ALA 55 N 1.91 0.06 -0.36 2.92 0.00 -1.45 -2.55 119.26 119.79 2jr1 h ALA 55 Ca -0.00 -0.28 -0.11 0.00 0.00 0.00 0.00 54.91 54.52 2jr1 h ALA 55 Cb 0.44 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2jr1 h ALA 55 CO 0.01 -0.15 -0.23 2.35 0.00 0.00 0.00 179.25 181.24 2jr1 h TRP 56 N -0.37 0.79 0.00 0.00 7.01 -1.32 0.23 115.95 122.29 2jr1 h TRP 56 Ca 0.01 -0.18 0.00 0.00 2.11 0.00 0.00 58.89 60.83 2jr1 h TRP 56 Cb 0.56 -0.19 0.00 0.00 -2.10 0.00 0.00 29.16 27.43 2jr1 h TRP 56 CO 0.10 0.86 0.00 -0.89 -2.79 0.00 0.00 178.44 175.72 2jr1 n ILE 57 N -4.11 1.08 -0.04 2.65 2.08 0.37 -3.30 119.36 118.08 2jr1 n ILE 57 Ca 0.00 0.27 -0.04 0.00 0.56 0.00 0.00 62.75 63.54 2jr1 n ILE 57 Cb 0.42 -1.24 -0.07 0.00 -0.75 0.00 0.00 39.64 38.01 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 -1.12 -0.44 0.23 7.39 0.00 -0.45 -3.52 105.19 107.28 2jr1 n GLY 58 Ca 0.01 -0.15 -0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 0.47 0.00 2.61 2.02 -0.59 -3.04 112.91 114.38 2jr1 h THR 59 Ca -0.22 -0.02 -0.02 0.00 0.77 0.00 0.00 66.41 66.92 2jr1 h THR 59 Cb 1.46 0.40 -0.00 0.00 -1.74 0.00 0.00 68.15 68.27 2jr1 h THR 59 CO 0.01 0.01 -1.06 0.00 0.37 0.00 0.00 175.52 174.86 2jr1 n ALA 60 N -2.86 1.98 0.29 6.16 0.00 -1.26 -4.86 120.51 119.96 2jr1 n ALA 60 Ca 0.08 -0.05 0.15 0.00 0.00 0.00 0.00 53.44 53.62 2jr1 n ALA 60 Cb 0.33 0.33 0.89 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 0.02 1.40 -0.83 0.00 0.00 -1.76 -3.28 119.26 114.81 2jr1 h ALA 61 Ca -0.02 -0.03 0.21 0.00 0.00 0.00 0.00 54.91 55.06 2jr1 h ALA 61 Cb 1.04 -0.01 -0.13 0.00 0.00 0.00 0.00 17.79 18.70 2jr1 h ALA 61 CO -0.00 0.04 0.23 -0.92 0.00 0.00 0.00 179.25 178.60 2jr1 h TYR 62 N 0.00 0.35 -0.86 0.00 3.20 -1.57 0.11 116.97 118.19 2jr1 h TYR 62 Ca -0.00 0.05 -0.01 0.00 3.14 0.00 0.00 58.73 61.91 2jr1 h TYR 62 Cb 0.10 -0.02 -0.04 0.00 1.54 0.00 0.00 36.73 38.31 2jr1 h TYR 62 CO 0.00 -0.15 0.52 0.00 -1.64 0.00 0.00 178.16 176.89 2jr1 h THR 63 N 0.25 1.24 -0.14 1.81 1.03 -1.85 0.68 112.91 115.92 2jr1 h THR 63 Ca 0.50 -0.53 -0.17 0.00 -0.01 0.00 0.00 66.41 66.21 2jr1 h THR 63 Cb 0.95 0.03 0.01 0.00 -1.07 0.00 0.00 68.15 68.07 2jr1 h THR 63 CO -0.59 0.25 -0.56 0.00 -0.01 0.00 0.00 175.52 174.60 2jr1 h ALA 64 N 1.38 0.26 -0.80 0.00 0.00 -1.62 -3.24 119.26 115.24 2jr1 h ALA 64 Ca 0.31 -0.52 0.05 0.00 0.00 0.00 0.00 54.91 54.75 2jr1 h ALA 64 Cb -0.04 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.67 2jr1 h ALA 64 CO -0.06 0.49 0.50 2.35 0.00 0.00 0.00 179.25 182.53 2jr1 h TRP 65 N 0.30 0.92 -0.26 0.00 7.01 -0.71 -2.60 115.95 120.61 2jr1 h TRP 65 Ca -0.03 0.03 -0.04 0.00 2.11 0.00 0.00 58.89 60.95 2jr1 h TRP 65 Cb 1.20 -0.30 -0.01 0.00 -2.10 0.00 0.00 29.16 27.94 2jr1 h TRP 65 CO 0.10 0.49 -0.03 0.87 -2.79 0.00 0.00 178.44 177.08 2jr1 h LYS 66 N 0.93 0.39 -0.54 2.65 1.79 -0.98 0.35 116.57 121.17 2jr1 h LYS 66 Ca 0.34 -0.08 -0.08 0.00 -2.18 0.00 0.00 60.65 58.65 2jr1 h LYS 66 Cb 0.12 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 30.68 2jr1 h LYS 66 CO -0.15 0.44 -0.00 0.00 -1.08 0.00 0.00 179.45 178.66 2jr1 h ALA 67 N 1.60 0.98 -0.03 3.86 0.00 -1.56 -3.37 119.26 120.74 2jr1 h ALA 67 Ca 0.08 -0.29 -0.17 0.00 0.00 0.00 0.00 54.91 54.54 2jr1 h ALA 67 Cb 0.30 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 17.89 2jr1 h ALA 67 CO 0.01 0.62 -0.63 0.87 0.00 0.00 0.00 179.25 180.12 2jr1 h LYS 68 N 0.85 0.48 -4.76 0.00 1.57 -1.03 -3.47 116.57 110.20 2jr1 h LYS 68 Ca 0.16 -0.48 -0.29 0.00 -1.87 0.00 0.00 60.65 58.17 2jr1 h LYS 68 Cb 0.51 0.13 -0.20 0.00 0.08 0.00 0.00 32.23 32.75 2jr1 h LYS 68 CO 0.03 1.12 -0.73 -1.01 -0.57 0.00 0.00 179.45 178.28 2jr1 s HIS 69 N -3.34 0.85 0.00 -1.35 3.76 0.07 -5.11 115.29 110.17 2jr1 s HIS 69 Ca -0.13 -0.59 0.00 0.00 -0.15 0.00 0.00 55.06 54.19 2jr1 s HIS 69 Cb 0.04 -0.49 0.00 0.00 1.11 0.00 0.00 32.58 33.24 2jr1 s HIS 69 CO 0.84 -0.06 0.30 -0.35 -0.85 0.00 0.00 174.74 174.62 2jr1 n PRO 70 N 1.02 0.00 -3.47 8.40 -0.04 -1.26 -4.11 135.00 135.55 2jr1 n PRO 70 Ca -0.20 0.06 -0.27 0.00 -0.04 0.00 0.00 63.50 63.06 2jr1 n PRO 70 Cb 0.56 -0.83 -0.10 0.00 -0.04 0.00 0.00 33.50 33.10 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 -0.68 0.86 -0.08 3.54 2.03 -1.26 -4.80 116.55 116.15 2jr1 n ASP 71 Ca 0.00 -2.73 -0.15 0.00 0.52 0.00 0.00 54.79 52.43 2jr1 n ASP 71 Cb 0.00 -0.63 -0.10 0.00 -0.72 0.00 0.00 41.12 39.68 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 5.09 0.00 -6.81 -0.67 4.81 -1.92 -3.46 114.58 111.62 2jr1 h GLU 72 Ca 0.19 0.00 -0.52 0.00 -0.13 0.00 0.00 59.36 58.90 2jr1 h GLU 72 Cb 0.84 0.00 0.05 0.00 0.63 0.00 0.00 28.75 30.27 2jr1 h GLU 72 CO 0.51 0.77 0.63 0.21 -0.73 0.00 0.00 179.01 180.40 2jr1 s LYS 73 N -2.22 4.40 0.33 1.92 2.20 -1.26 -4.27 119.74 120.84 2jr1 s LYS 73 Ca -0.21 2.12 -0.29 0.00 -0.36 0.00 0.00 55.97 57.24 2jr1 s LYS 73 Cb 0.02 -3.12 -0.10 0.00 -1.51 0.00 0.00 37.83 33.12 2jr1 s LYS 73 CO 0.52 -0.16 1.28 0.12 -0.36 0.00 0.00 175.35 176.74 2jr1 s PHE 74 N -0.74 3.10 -1.14 4.03 5.36 -1.26 -4.93 117.98 122.40 2jr1 s PHE 74 Ca 0.51 1.45 -0.20 0.00 -0.96 0.00 0.00 56.93 57.74 2jr1 s PHE 74 Cb -0.38 -3.62 -0.05 0.00 -0.34 0.00 0.00 43.02 38.63 2jr1 s PHE 74 CO 0.47 -1.70 1.96 -0.35 -1.46 0.00 0.00 175.22 174.14 2jr1 n PRO 75 N 0.78 2.19 -3.40 10.12 -0.04 -1.26 -4.95 135.00 138.44 2jr1 n PRO 75 Ca 0.00 -2.47 -0.37 0.00 -0.04 0.00 0.00 63.50 60.62 2jr1 n PRO 75 Cb 0.42 -3.33 -0.06 0.00 -0.04 0.00 0.00 33.50 30.50 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 5.93 3.53 0.27 0.55 0.00 -1.26 -5.11 121.76 125.67 2jr1 s ALA 76 Ca 0.57 -0.28 0.05 0.00 0.00 0.00 0.00 51.96 52.30 2jr1 s ALA 76 Cb 0.08 -2.54 -0.03 0.00 0.00 0.00 0.00 23.12 20.64 2jr1 s ALA 76 CO 0.07 0.08 0.40 -0.59 0.00 0.00 0.00 175.76 175.71 2jr1 s PHE 77 N 0.41 3.38 -0.56 0.00 -0.71 -1.26 -4.40 117.98 114.84 2jr1 s PHE 77 Ca 0.23 -0.04 -0.28 0.00 -1.04 0.00 0.00 56.93 55.80 2jr1 s PHE 77 Cb -0.15 -1.69 0.02 0.00 -1.21 0.00 0.00 43.02 40.00 2jr1 s PHE 77 CO 0.08 0.31 1.26 -1.25 -1.34 0.00 0.00 175.22 174.29 2jr1 s PRO 78 N -4.05 3.47 0.00 1.99 0.04 -1.26 -4.78 135.00 130.41 2jr1 s PRO 78 Ca 0.37 0.37 0.00 0.00 0.04 0.00 0.00 61.00 61.77 2jr1 s PRO 78 Cb -0.09 -4.04 0.00 0.00 0.04 0.00 0.00 34.50 30.41 2jr1 s PRO 78 CO 0.30 -1.73 0.00 0.41 0.04 0.00 0.00 177.00 176.02