#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 0.46 -3.74 4.37 -1.24 -2.03 -3.40 115.58 109.99 2jr1 h ASN 2 Ca 0.00 -0.27 -0.66 0.00 0.71 0.00 0.00 56.30 56.08 2jr1 h ASN 2 Cb 0.00 -0.13 -0.39 0.00 0.73 0.00 0.00 38.32 38.53 2jr1 h ASN 2 CO 0.00 0.96 -0.75 0.54 -1.29 0.00 0.00 177.43 176.89 2jr1 s VAL 3 N -3.82 2.20 -0.09 2.57 0.11 -1.26 -5.01 120.40 115.10 2jr1 s VAL 3 Ca -0.06 -2.06 -0.01 0.00 -2.93 0.00 0.00 61.98 56.92 2jr1 s VAL 3 Cb 0.11 -2.51 0.03 0.00 -1.53 0.00 0.00 36.38 32.48 2jr1 s VAL 3 CO 0.82 -0.39 -0.01 -0.54 -3.33 0.00 0.00 175.10 171.65 2jr1 s LYS 4 N 0.99 0.80 0.75 1.54 -0.14 -1.26 -5.14 119.74 117.28 2jr1 s LYS 4 Ca 0.04 -0.02 -0.11 0.00 -1.36 0.00 0.00 55.97 54.52 2jr1 s LYS 4 Cb -0.19 -1.22 0.04 0.00 -1.68 0.00 0.00 37.83 34.78 2jr1 s LYS 4 CO -0.07 -0.33 1.08 -0.65 -0.76 0.00 0.00 175.35 174.61 2jr1 s GLN 5 N 1.91 2.47 0.23 1.68 1.11 -1.26 -4.85 119.66 120.94 2jr1 s GLN 5 Ca 0.04 0.94 -0.30 0.00 0.01 0.00 0.00 55.36 56.05 2jr1 s GLN 5 Cb -0.13 -1.94 -0.09 0.00 -1.01 0.00 0.00 33.01 29.85 2jr1 s GLN 5 CO -0.06 -1.43 1.16 0.15 0.01 0.00 0.00 175.29 175.13 2jr1 s LYS 6 N -5.02 4.54 -0.17 2.91 3.01 -1.26 -4.99 119.74 118.76 2jr1 s LYS 6 Ca 0.60 1.86 -0.03 0.00 -1.01 0.00 0.00 55.97 57.39 2jr1 s LYS 6 Cb -0.15 -3.21 0.06 0.00 -1.01 0.00 0.00 37.83 33.51 2jr1 s LYS 6 CO 0.55 0.03 0.05 -1.12 0.51 0.00 0.00 175.35 175.37 2jr1 s SER 7 N -0.31 2.52 -0.33 2.83 0.01 -1.26 -5.00 113.70 112.16 2jr1 s SER 7 Ca 0.49 -0.64 0.03 0.00 1.31 0.00 0.00 55.95 57.14 2jr1 s SER 7 Cb -0.33 -0.45 0.09 0.00 0.21 0.00 0.00 66.02 65.54 2jr1 s SER 7 CO 0.39 -0.30 0.03 -1.61 0.41 0.00 0.00 173.24 172.16 2jr1 s GLU 8 N 1.97 1.74 -0.10 12.44 2.02 -1.25 -3.37 118.70 132.14 2jr1 s GLU 8 Ca 0.01 -1.73 -0.03 0.00 0.02 0.00 0.00 54.97 53.23 2jr1 s GLU 8 Cb -0.16 -3.17 -0.03 0.00 0.10 0.00 0.00 34.13 30.86 2jr1 s GLU 8 CO -0.08 -0.86 0.03 0.42 0.02 0.00 0.00 175.26 174.79 2jr1 s ILE 9 N 0.98 4.55 0.62 -1.63 1.09 -0.55 -4.99 121.20 121.27 2jr1 s ILE 9 Ca 0.06 -0.15 -0.17 0.00 -1.10 0.00 0.00 60.65 59.29 2jr1 s ILE 9 Cb -0.20 -2.94 -0.02 0.00 -1.06 0.00 0.00 42.46 38.24 2jr1 s ILE 9 CO -0.07 0.59 1.13 -0.89 -0.10 0.00 0.00 174.94 175.60 2jr1 s THR 10 N -0.74 3.10 -0.07 2.92 2.01 -1.26 -3.27 115.64 118.33 2jr1 s THR 10 Ca 0.12 0.58 -0.29 0.00 0.31 0.00 0.00 61.69 62.41 2jr1 s THR 10 Cb -0.12 -3.14 -0.06 0.00 0.01 0.00 0.00 72.50 69.19 2jr1 s THR 10 CO 0.02 -0.25 1.88 0.00 -0.69 0.00 0.00 174.62 175.58 2jr1 s ALA 11 N -2.07 3.39 0.33 7.40 0.00 -1.22 -4.90 121.76 124.69 2jr1 s ALA 11 Ca 0.70 1.00 0.02 0.00 0.00 0.00 0.00 51.96 53.67 2jr1 s ALA 11 Cb -0.23 -3.86 -0.03 0.00 0.00 0.00 0.00 23.12 19.00 2jr1 s ALA 11 CO 0.36 -1.81 0.51 -0.51 0.00 0.00 0.00 175.76 174.32 2jr1 s LEU 12 N 5.15 4.06 0.40 0.00 1.43 -1.26 -4.87 118.68 123.59 2jr1 s LEU 12 Ca 0.84 0.35 -0.25 0.00 -1.03 0.00 0.00 54.13 54.03 2jr1 s LEU 12 Cb -0.36 -3.20 -0.11 0.00 0.03 0.00 0.00 46.19 42.56 2jr1 s LEU 12 CO 0.36 -0.27 1.13 1.33 0.23 0.00 0.00 176.35 179.13 2jr1 n VAL 13 N -1.72 2.43 -2.20 -1.59 0.24 -1.26 -4.42 118.33 109.81 2jr1 n VAL 13 Ca -0.05 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.34 61.32 2jr1 n VAL 13 Cb 0.56 -1.33 -0.03 0.00 -1.47 0.00 0.00 33.84 31.57 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 -2.05 4.28 -0.10 7.34 2.47 0.35 -4.92 119.74 127.10 2jr1 s LYS 14 Ca 0.61 2.00 -0.22 0.00 -1.56 0.00 0.00 55.97 56.80 2jr1 s LYS 14 Cb -0.55 -3.57 -0.04 0.00 -1.46 0.00 0.00 37.83 32.22 2jr1 s LYS 14 CO 0.58 -0.58 0.63 -1.21 0.16 0.00 0.00 175.35 174.93 2jr1 s GLU 15 N 2.38 4.37 0.05 4.03 8.01 -1.26 -3.74 118.70 132.54 2jr1 s GLU 15 Ca 0.65 0.73 0.01 0.00 0.01 0.00 0.00 54.97 56.36 2jr1 s GLU 15 Cb -0.32 -3.47 -0.03 0.00 -4.31 0.00 0.00 34.13 26.00 2jr1 s GLU 15 CO 0.27 0.03 -0.05 0.08 0.01 0.00 0.00 175.26 175.59 2jr1 s VAL 16 N 0.98 0.42 0.09 2.63 1.01 -1.26 -5.10 120.40 119.17 2jr1 s VAL 16 Ca 0.33 -1.44 -0.26 0.00 0.00 0.00 0.00 61.98 60.61 2jr1 s VAL 16 Cb -0.17 -1.03 -0.15 0.00 0.00 0.00 0.00 36.38 35.03 2jr1 s VAL 16 CO 0.15 -0.68 1.70 0.74 0.00 0.00 0.00 175.10 177.01 2jr1 h THR 17 N 3.81 0.78 -4.30 3.92 2.02 -1.98 -3.43 112.91 113.74 2jr1 h THR 17 Ca -0.34 0.00 -0.50 0.00 0.77 0.00 0.00 66.41 66.34 2jr1 h THR 17 Cb 1.18 0.78 0.11 0.00 -1.74 0.00 0.00 68.15 68.48 2jr1 h THR 17 CO 0.53 0.00 0.35 -2.16 0.37 0.00 0.00 175.52 174.60 2jr1 s PRO 18 N -6.15 2.38 -1.19 6.66 0.04 -1.26 -4.96 135.00 130.51 2jr1 s PRO 18 Ca -0.14 0.77 -0.21 0.00 0.04 0.00 0.00 61.00 61.45 2jr1 s PRO 18 Cb 0.05 -1.94 -0.02 0.00 0.04 0.00 0.00 34.50 32.63 2jr1 s PRO 18 CO 0.65 -1.45 1.84 -1.25 0.04 0.00 0.00 177.00 176.83 2jr1 s PRO 19 N -5.10 3.08 -0.18 0.56 0.04 -1.26 -4.86 135.00 127.28 2jr1 s PRO 19 Ca 0.60 -1.38 -0.09 0.00 0.04 0.00 0.00 61.00 60.17 2jr1 s PRO 19 Cb -0.14 -5.34 0.07 0.00 0.04 0.00 0.00 34.50 29.13 2jr1 s PRO 19 CO 0.55 -3.23 0.42 0.50 0.04 0.00 0.00 177.00 175.27 2jr1 s ARG 20 N 5.65 0.38 -0.18 4.56 3.52 -1.26 -5.16 118.95 126.44 2jr1 s ARG 20 Ca 0.62 0.86 0.01 0.00 -0.13 0.00 0.00 55.73 57.09 2jr1 s ARG 20 Cb 0.00 0.07 0.03 0.00 -1.56 0.00 0.00 34.95 33.50 2jr1 s ARG 20 CO 0.09 -0.18 -0.14 0.15 -0.81 0.00 0.00 175.30 174.40 2jr1 s LYS 21 N 1.74 2.39 0.08 5.12 -0.14 -1.26 -4.36 119.74 123.31 2jr1 s LYS 21 Ca -0.07 -0.80 0.04 0.00 -1.36 0.00 0.00 55.97 53.78 2jr1 s LYS 21 Cb -0.09 -2.41 -0.04 0.00 -1.68 0.00 0.00 37.83 33.61 2jr1 s LYS 21 CO -0.13 -0.33 0.02 0.00 -0.76 0.00 0.00 175.35 174.16 2jr1 s ALA 22 N 1.37 3.37 -0.55 5.17 0.00 -1.25 -4.91 121.76 124.96 2jr1 s ALA 22 Ca 0.02 -1.08 -0.28 0.00 0.00 0.00 0.00 51.96 50.62 2jr1 s ALA 22 Cb -0.15 -1.27 0.02 0.00 0.00 0.00 0.00 23.12 21.73 2jr1 s ALA 22 CO -0.10 0.71 1.28 -1.25 0.00 0.00 0.00 175.76 176.40 2jr1 s PRO 23 N -2.28 3.47 0.03 0.00 0.04 -1.26 -0.49 135.00 134.50 2jr1 s PRO 23 Ca 0.26 0.40 0.03 0.00 0.04 0.00 0.00 61.00 61.73 2jr1 s PRO 23 Cb -0.12 -4.04 -0.02 0.00 0.04 0.00 0.00 34.50 30.36 2jr1 s PRO 23 CO 0.19 -1.73 -0.08 0.45 0.04 0.00 0.00 177.00 175.87 2jr1 s SER 24 N 3.46 0.93 -0.49 6.66 0.15 -1.26 -4.95 113.70 118.20 2jr1 s SER 24 Ca 0.48 -0.40 -0.28 0.00 0.70 0.00 0.00 55.95 56.45 2jr1 s SER 24 Cb -0.09 -0.02 0.01 0.00 -1.71 0.00 0.00 66.02 64.20 2jr1 s SER 24 CO 0.27 -0.08 1.50 -0.54 1.20 0.00 0.00 173.24 175.58 2jr1 s LYS 25 N -1.07 3.34 -0.15 5.44 -0.14 -1.23 -4.65 119.74 121.28 2jr1 s LYS 25 Ca -0.04 0.74 -0.06 0.00 -1.36 0.00 0.00 55.97 55.25 2jr1 s LYS 25 Cb -0.07 -4.12 -0.04 0.00 -1.68 0.00 0.00 37.83 31.92 2jr1 s LYS 25 CO 0.00 -1.88 0.07 0.00 -0.76 0.00 0.00 175.35 172.79 2jr1 s ALA 26 N 6.22 3.50 -0.09 5.17 0.00 -1.26 -1.21 121.76 134.09 2jr1 s ALA 26 Ca 0.60 -0.73 -0.01 0.00 0.00 0.00 0.00 51.96 51.81 2jr1 s ALA 26 Cb -0.13 -1.85 0.03 0.00 0.00 0.00 0.00 23.12 21.17 2jr1 s ALA 26 CO 0.28 0.36 -0.00 0.15 0.00 0.00 0.00 175.76 176.55 2jr1 s LYS 27 N -0.21 0.71 -0.45 0.00 3.01 -1.22 -3.40 119.74 118.19 2jr1 s LYS 27 Ca 0.08 0.02 -0.11 0.00 -1.01 0.00 0.00 55.97 54.94 2jr1 s LYS 27 Cb -0.12 -1.16 0.08 0.00 -1.01 0.00 0.00 37.83 35.63 2jr1 s LYS 27 CO 0.01 -0.33 0.32 1.03 0.51 0.00 0.00 175.35 176.89 2jr1 s ARG 28 N 1.93 2.71 -0.01 1.68 0.52 -1.20 -3.73 118.95 120.85 2jr1 s ARG 28 Ca 0.04 -1.47 0.03 0.00 -0.52 0.00 0.00 55.73 53.81 2jr1 s ARG 28 Cb -0.13 -3.92 -0.01 0.00 0.52 0.00 0.00 34.95 31.42 2jr1 s ARG 28 CO -0.06 -1.02 -0.11 -1.21 0.02 0.00 0.00 175.30 172.92 2jr1 s GLU 29 N 1.49 0.97 -0.40 3.54 2.02 -1.24 -1.48 118.70 123.59 2jr1 s GLU 29 Ca 0.04 -0.40 -0.17 0.00 0.02 0.00 0.00 54.97 54.46 2jr1 s GLU 29 Cb -0.24 -0.92 0.01 0.00 0.10 0.00 0.00 34.13 33.08 2jr1 s GLU 29 CO 0.03 0.23 0.42 0.00 0.02 0.00 0.00 175.26 175.96 2jr1 s ALA 30 N -0.19 3.44 0.00 5.21 0.00 -1.22 -2.06 121.76 126.95 2jr1 s ALA 30 Ca 0.03 -1.43 0.00 0.00 0.00 0.00 0.00 51.96 50.56 2jr1 s ALA 30 Cb -0.05 -3.00 0.00 0.00 0.00 0.00 0.00 23.12 20.06 2jr1 s ALA 30 CO -0.00 -1.46 0.00 -0.35 0.00 0.00 0.00 175.76 173.94 2jr1 n PRO 31 N 5.56 0.00 -4.17 0.00 -0.04 -1.26 -4.73 135.00 130.36 2jr1 n PRO 31 Ca -0.08 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.09 2jr1 n PRO 31 Cb 0.48 0.00 -0.17 0.00 -0.04 0.00 0.00 33.50 33.77 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 0.42 1.53 -0.16 0.52 -4.36 -1.26 -4.74 121.20 113.16 2jr1 s ILE 32 Ca 0.00 -0.63 0.27 0.00 -0.26 0.00 0.00 60.65 60.03 2jr1 s ILE 32 Cb 0.00 -1.43 0.33 0.00 1.25 0.00 0.00 42.46 42.62 2jr1 s ILE 32 CO 0.00 0.45 1.77 0.50 0.24 0.00 0.00 174.94 177.90 2jr1 h LYS 33 N 7.83 0.00 -0.30 0.37 1.63 -1.94 -1.88 116.57 122.28 2jr1 h LYS 33 Ca -0.35 0.00 -0.08 0.00 -0.85 0.00 0.00 60.65 59.36 2jr1 h LYS 33 Cb 1.15 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.77 2jr1 h LYS 33 CO 0.51 0.05 -0.13 -0.92 -3.45 0.00 0.00 179.45 175.51 2jr1 h TYR 34 N 0.00 0.72 0.00 1.91 3.20 -1.96 -3.37 116.97 117.47 2jr1 h TYR 34 Ca -0.00 -0.17 -0.00 0.00 3.14 0.00 0.00 58.73 61.70 2jr1 h TYR 34 Cb 0.81 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.91 2jr1 h TYR 34 CO 0.00 0.85 -0.00 2.35 -1.64 0.00 0.00 178.16 179.72 2jr1 h TRP 35 N 0.39 -0.00 -3.38 -3.82 7.01 -2.01 -3.47 115.95 110.66 2jr1 h TRP 35 Ca 0.07 -0.00 -0.65 0.00 2.11 0.00 0.00 58.89 60.42 2jr1 h TRP 35 Cb 0.65 0.00 -0.23 0.00 -2.10 0.00 0.00 29.16 27.48 2jr1 h TRP 35 CO 0.06 0.90 -0.71 -0.51 -2.79 0.00 0.00 178.44 175.38 2jr1 s LEU 36 N -8.32 3.02 0.00 0.65 1.43 -0.71 -5.04 118.68 109.72 2jr1 s LEU 36 Ca -0.18 -0.19 0.10 0.00 -1.03 0.00 0.00 54.13 52.84 2jr1 s LEU 36 Cb -0.02 -1.70 0.50 0.00 0.03 0.00 0.00 46.19 45.00 2jr1 s LEU 36 CO 0.64 0.20 1.25 -0.81 0.23 0.00 0.00 176.35 177.87 2jr1 n PRO 37 N 3.32 0.11 -3.81 1.29 -0.04 -1.26 -4.04 135.00 130.56 2jr1 n PRO 37 Ca -0.18 0.22 -0.27 0.00 -0.04 0.00 0.00 63.50 63.24 2jr1 n PRO 37 Cb 0.53 -1.50 -0.17 0.00 -0.04 0.00 0.00 33.50 32.32 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 -2.69 1.20 -0.67 0.54 5.04 -1.26 -4.96 115.29 112.49 2jr1 s HIS 38 Ca 0.09 -0.76 -0.19 0.00 -1.54 0.00 0.00 55.06 52.66 2jr1 s HIS 38 Cb 0.07 -1.08 0.11 0.00 0.04 0.00 0.00 32.58 31.72 2jr1 s HIS 38 CO 0.17 -0.54 0.82 -1.54 -2.34 0.00 0.00 174.74 171.31 2jr1 s SER 39 N 1.80 6.29 0.00 9.88 1.04 -1.26 -4.78 113.70 126.66 2jr1 s SER 39 Ca 0.01 -1.53 0.00 0.00 0.48 0.00 0.00 55.95 54.92 2jr1 s SER 39 Cb -0.15 -2.33 0.00 0.00 0.10 0.00 0.00 66.02 63.64 2jr1 s SER 39 CO -0.07 -1.14 0.00 0.61 0.98 0.00 0.00 173.24 173.62 2jr1 n GLY 40 N 5.23 -0.18 3.30 7.32 0.00 -1.24 -4.63 105.19 114.99 2jr1 n GLY 40 Ca -0.02 0.36 -0.40 0.00 0.00 0.00 0.00 46.02 45.96 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 3.24 -1.09 4.61 0.00 -0.87 -4.92 121.76 122.73 2jr1 s ALA 41 Ca 0.00 -1.96 -0.18 0.00 0.00 0.00 0.00 51.96 49.82 2jr1 s ALA 41 Cb 0.00 -2.56 0.12 0.00 0.00 0.00 0.00 23.12 20.68 2jr1 s ALA 41 CO 0.00 -1.52 1.37 -0.08 0.00 0.00 0.00 175.76 175.53 2jr1 s THR 42 N 1.45 4.59 -0.64 0.00 -1.32 -1.26 -3.66 115.64 114.79 2jr1 s THR 42 Ca 0.02 -1.82 -0.19 0.00 -1.21 0.00 0.00 61.69 58.48 2jr1 s THR 42 Cb -0.21 -4.93 0.10 0.00 -1.51 0.00 0.00 72.50 65.95 2jr1 s THR 42 CO 0.03 -1.70 0.79 0.86 -2.21 0.00 0.00 174.62 172.40 2jr1 s TRP 43 N 2.97 2.97 -0.83 9.09 -0.11 -1.24 -4.99 118.94 126.80 2jr1 s TRP 43 Ca 0.41 -0.95 -0.17 0.00 1.22 0.00 0.00 56.10 56.61 2jr1 s TRP 43 Cb -0.02 -4.09 0.16 0.00 -1.50 0.00 0.00 33.47 28.02 2jr1 s TRP 43 CO -0.04 -1.37 0.91 -1.54 -4.62 0.00 0.00 176.95 170.29 2jr1 s SER 44 N 3.58 6.60 0.00 5.86 1.04 -1.26 -3.42 113.70 126.10 2jr1 s SER 44 Ca 0.16 -2.17 0.00 0.00 0.48 0.00 0.00 55.95 54.41 2jr1 s SER 44 Cb -0.21 -2.31 0.00 0.00 0.10 0.00 0.00 66.02 63.60 2jr1 s SER 44 CO 0.05 -0.89 0.00 0.61 0.98 0.00 0.00 173.24 173.99 2jr1 n GLY 45 N 4.87 -1.77 3.73 7.32 0.00 -0.35 -4.83 105.19 114.17 2jr1 n GLY 45 Ca 0.14 0.65 -0.40 0.00 0.00 0.00 0.00 46.02 46.40 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 4.57 -1.08 1.61 3.00 -1.26 -3.51 118.95 122.28 2jr1 s ARG 46 Ca 0.00 1.21 -0.22 0.00 -1.00 0.00 0.00 55.73 55.72 2jr1 s ARG 46 Cb 0.00 -3.38 -0.01 0.00 0.00 0.00 0.00 34.95 31.55 2jr1 s ARG 46 CO 0.00 0.21 1.79 0.20 0.00 0.00 0.00 175.30 177.50 2jr1 s GLY 47 N 0.12 0.70 -0.55 8.12 0.00 -1.26 -4.85 107.32 109.59 2jr1 s GLY 47 Ca 0.43 -2.12 -0.23 0.00 0.00 0.00 0.00 44.72 42.80 2jr1 s GLY 47 CO 0.25 3.18 0.87 -1.59 0.00 0.00 0.00 173.10 175.81 2jr1 s LYS 48 N 5.87 3.26 -0.47 2.90 0.00 -1.26 -5.02 119.74 125.02 2jr1 s LYS 48 Ca 0.61 -0.47 -0.11 0.00 0.00 0.00 0.00 55.97 56.00 2jr1 s LYS 48 Cb -0.02 -4.08 0.10 0.00 0.00 0.00 0.00 37.83 33.84 2jr1 s LYS 48 CO 0.02 -1.45 0.36 0.42 0.00 0.00 0.00 175.35 174.70 2jr1 s ILE 49 N 3.64 4.56 0.00 3.79 1.09 -1.26 -4.72 121.20 128.30 2jr1 s ILE 49 Ca 0.26 -1.51 -0.03 0.00 -1.10 0.00 0.00 60.65 58.27 2jr1 s ILE 49 Cb -0.15 -3.88 -0.14 0.00 -1.06 0.00 0.00 42.46 37.23 2jr1 s ILE 49 CO 0.17 -0.68 2.80 -0.81 -0.10 0.00 0.00 174.94 176.31 2jr1 n PRO 50 N 5.02 1.49 0.17 2.79 -0.04 -1.26 -4.47 135.00 138.70 2jr1 n PRO 50 Ca -0.10 -0.54 -0.13 0.00 -0.04 0.00 0.00 63.50 62.69 2jr1 n PRO 50 Cb 0.42 -1.56 -0.08 0.00 -0.04 0.00 0.00 33.50 32.24 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 2.26 -0.43 -0.05 0.54 6.56 -1.98 -0.59 116.57 122.87 2jr1 h LYS 51 Ca 0.10 0.03 0.01 0.00 -1.06 0.00 0.00 60.65 59.74 2jr1 h LYS 51 Cb 1.23 0.10 -0.00 0.00 -0.57 0.00 0.00 32.23 32.99 2jr1 h LYS 51 CO 0.14 -0.11 0.07 -1.00 -2.06 0.00 0.00 179.45 176.49 2jr1 h PRO 52 N -0.84 0.00 0.27 3.15 0.13 -1.98 -1.01 132.00 131.71 2jr1 h PRO 52 Ca -0.05 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.07 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 0.08 0.00 -0.13 0.35 -0.23 0.00 0.00 178.00 178.07 2jr1 h PHE 53 N 0.00 -0.33 -0.65 1.56 3.57 -1.88 -2.65 116.94 116.56 2jr1 h PHE 53 Ca 0.02 -0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.62 2jr1 h PHE 53 Cb 0.16 0.11 -0.04 0.00 2.79 0.00 0.00 35.95 38.97 2jr1 h PHE 53 CO 0.00 -0.21 0.43 1.49 -2.23 0.00 0.00 178.31 177.80 2jr1 h GLU 54 N -0.81 0.47 0.21 1.11 4.57 -1.08 0.18 114.58 119.23 2jr1 h GLU 54 Ca -0.04 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.10 2jr1 h GLU 54 Cb 0.28 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 28.76 2jr1 h GLU 54 CO 0.06 0.31 -0.10 0.00 -1.18 0.00 0.00 179.01 178.10 2jr1 h ALA 55 N 1.67 -0.28 -0.40 2.92 0.00 -1.34 -1.80 119.26 120.04 2jr1 h ALA 55 Ca 0.30 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 2jr1 h ALA 55 Cb 0.53 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 2jr1 h ALA 55 CO -0.09 -0.55 -0.13 2.35 0.00 0.00 0.00 179.25 180.83 2jr1 h TRP 56 N -0.50 0.79 0.00 0.00 2.91 -1.20 0.12 115.95 118.08 2jr1 h TRP 56 Ca -0.03 -0.15 0.00 0.00 1.13 0.00 0.00 58.89 59.85 2jr1 h TRP 56 Cb 0.37 -0.20 0.00 0.00 -0.51 0.00 0.00 29.16 28.82 2jr1 h TRP 56 CO -0.00 0.81 0.00 -0.89 -1.03 0.00 0.00 178.44 177.33 2jr1 n ILE 57 N -4.16 0.05 -0.02 2.65 2.08 0.61 -3.61 119.36 116.96 2jr1 n ILE 57 Ca 0.01 0.01 -0.02 0.00 0.56 0.00 0.00 62.75 63.32 2jr1 n ILE 57 Cb 0.37 -0.86 -0.03 0.00 -0.75 0.00 0.00 39.64 38.38 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 -0.38 -0.16 0.26 7.39 0.00 -0.58 -3.69 105.19 108.03 2jr1 n GLY 58 Ca 0.07 -0.06 0.02 0.00 0.00 0.00 0.00 46.02 46.06 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 0.36 0.00 2.61 2.02 -0.87 -3.14 112.91 113.90 2jr1 h THR 59 Ca -0.09 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.07 2jr1 h THR 59 Cb 1.20 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 67.90 2jr1 h THR 59 CO 0.00 0.01 -0.97 0.00 0.37 0.00 0.00 175.52 174.94 2jr1 n ALA 60 N -3.00 1.98 0.27 6.16 0.00 -1.26 -4.87 120.51 119.79 2jr1 n ALA 60 Ca 0.11 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.67 2jr1 n ALA 60 Cb 0.40 0.31 0.74 0.00 0.00 0.00 0.00 19.45 20.90 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 1.41 -0.82 0.00 0.00 -1.76 -3.29 119.26 114.81 2jr1 h ALA 61 Ca 0.00 -0.09 0.20 0.00 0.00 0.00 0.00 54.91 55.02 2jr1 h ALA 61 Cb 0.97 -0.02 -0.14 0.00 0.00 0.00 0.00 17.79 18.61 2jr1 h ALA 61 CO 0.00 0.12 0.10 -0.92 0.00 0.00 0.00 179.25 178.55 2jr1 h TYR 62 N 0.00 0.11 -0.85 0.00 3.20 -1.62 0.13 116.97 117.95 2jr1 h TYR 62 Ca -0.00 0.05 -0.01 0.00 3.14 0.00 0.00 58.73 61.92 2jr1 h TYR 62 Cb 0.24 0.08 -0.04 0.00 1.54 0.00 0.00 36.73 38.55 2jr1 h TYR 62 CO 0.00 -0.24 0.51 0.00 -1.64 0.00 0.00 178.16 176.79 2jr1 h THR 63 N 0.14 1.23 -0.22 1.81 1.03 -1.86 -0.60 112.91 114.45 2jr1 h THR 63 Ca 0.48 -0.52 -0.20 0.00 -0.01 0.00 0.00 66.41 66.16 2jr1 h THR 63 Cb 0.90 0.04 0.00 0.00 -1.07 0.00 0.00 68.15 68.03 2jr1 h THR 63 CO -0.68 0.25 -0.66 0.00 -0.01 0.00 0.00 175.52 174.43 2jr1 h ALA 64 N 1.39 0.40 -0.81 0.00 0.00 -1.59 -3.32 119.26 115.33 2jr1 h ALA 64 Ca 0.30 -0.56 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 2jr1 h ALA 64 Cb -0.04 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 2jr1 h ALA 64 CO -0.06 0.68 0.37 2.35 0.00 0.00 0.00 179.25 182.59 2jr1 h TRP 65 N 0.60 1.19 -0.29 0.00 7.01 -0.66 -3.21 115.95 120.59 2jr1 h TRP 65 Ca -0.02 -0.07 -0.04 0.00 2.11 0.00 0.00 58.89 60.87 2jr1 h TRP 65 Cb 1.27 -0.36 -0.02 0.00 -2.10 0.00 0.00 29.16 27.95 2jr1 h TRP 65 CO 0.08 0.88 0.01 0.87 -2.79 0.00 0.00 178.44 177.49 2jr1 h LYS 66 N 1.16 0.44 -0.55 2.65 1.79 -1.23 -1.08 116.57 119.74 2jr1 h LYS 66 Ca 0.28 -0.08 -0.04 0.00 -2.18 0.00 0.00 60.65 58.63 2jr1 h LYS 66 Cb 0.15 -0.07 -0.03 0.00 -1.58 0.00 0.00 32.23 30.71 2jr1 h LYS 66 CO -0.03 0.46 0.20 0.00 -1.08 0.00 0.00 179.45 178.99 2jr1 h ALA 67 N 1.59 1.30 -0.01 3.86 0.00 -1.66 -3.36 119.26 121.00 2jr1 h ALA 67 Ca 0.10 -0.16 -0.16 0.00 0.00 0.00 0.00 54.91 54.68 2jr1 h ALA 67 Cb 0.26 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 17.84 2jr1 h ALA 67 CO 0.01 0.51 -0.63 0.87 0.00 0.00 0.00 179.25 180.01 2jr1 h LYS 68 N 0.80 0.44 -4.60 0.00 1.57 -1.41 -3.48 116.57 109.90 2jr1 h LYS 68 Ca 0.19 -0.46 -0.27 0.00 -1.87 0.00 0.00 60.65 58.23 2jr1 h LYS 68 Cb 0.20 0.13 -0.21 0.00 0.08 0.00 0.00 32.23 32.43 2jr1 h LYS 68 CO -0.01 1.12 -0.73 -1.01 -0.57 0.00 0.00 179.45 178.24 2jr1 s HIS 69 N -3.25 0.71 0.00 -1.35 3.76 -0.47 -5.13 115.29 109.57 2jr1 s HIS 69 Ca -0.13 -0.54 0.00 0.00 -0.15 0.00 0.00 55.06 54.24 2jr1 s HIS 69 Cb 0.04 -0.42 0.00 0.00 1.11 0.00 0.00 32.58 33.31 2jr1 s HIS 69 CO 0.83 -0.09 0.33 -0.35 -0.85 0.00 0.00 174.74 174.61 2jr1 n PRO 70 N 1.30 0.00 -3.41 8.40 -0.04 -1.26 -4.25 135.00 135.74 2jr1 n PRO 70 Ca -0.22 0.04 -0.26 0.00 -0.04 0.00 0.00 63.50 63.02 2jr1 n PRO 70 Cb 0.55 -0.84 -0.09 0.00 -0.04 0.00 0.00 33.50 33.08 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 -0.61 1.14 -0.04 3.54 2.03 -1.26 -4.83 116.55 116.51 2jr1 n ASP 71 Ca 0.00 -2.83 -0.19 0.00 0.52 0.00 0.00 54.79 52.29 2jr1 n ASP 71 Cb 0.00 -0.64 -0.13 0.00 -0.72 0.00 0.00 41.12 39.63 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 4.73 0.10 -6.93 -0.67 4.81 -1.93 -3.47 114.58 111.22 2jr1 h GLU 72 Ca 0.17 -0.17 -0.46 0.00 -0.13 0.00 0.00 59.36 58.76 2jr1 h GLU 72 Cb 0.82 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.25 2jr1 h GLU 72 CO 0.55 1.08 0.32 0.21 -0.73 0.00 0.00 179.01 180.44 2jr1 s LYS 73 N -2.35 4.41 0.32 1.92 2.20 -1.26 -4.05 119.74 120.92 2jr1 s LYS 73 Ca -0.21 1.20 -0.29 0.00 -0.36 0.00 0.00 55.97 56.31 2jr1 s LYS 73 Cb 0.02 -2.55 -0.10 0.00 -1.51 0.00 0.00 37.83 33.68 2jr1 s LYS 73 CO 0.70 0.16 1.30 0.12 -0.36 0.00 0.00 175.35 177.27 2jr1 s PHE 74 N -1.84 3.08 -1.21 4.03 5.36 -1.26 -4.93 117.98 121.21 2jr1 s PHE 74 Ca 0.54 1.41 -0.22 0.00 -0.96 0.00 0.00 56.93 57.71 2jr1 s PHE 74 Cb -0.14 -3.66 -0.06 0.00 -0.34 0.00 0.00 43.02 38.81 2jr1 s PHE 74 CO 0.19 -1.82 1.90 -0.35 -1.46 0.00 0.00 175.22 173.68 2jr1 n PRO 75 N 0.95 1.88 -3.69 10.12 -0.04 -1.26 -4.95 135.00 138.01 2jr1 n PRO 75 Ca 0.00 -2.61 -0.36 0.00 -0.04 0.00 0.00 63.50 60.50 2jr1 n PRO 75 Cb 0.42 -3.69 -0.09 0.00 -0.04 0.00 0.00 33.50 30.10 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 9.87 3.65 0.37 0.55 0.00 -1.26 -5.11 121.76 129.83 2jr1 s ALA 76 Ca 0.66 -0.76 -0.01 0.00 0.00 0.00 0.00 51.96 51.84 2jr1 s ALA 76 Cb 0.00 -2.25 -0.04 0.00 0.00 0.00 0.00 23.12 20.84 2jr1 s ALA 76 CO 0.13 -0.00 0.60 -0.59 0.00 0.00 0.00 175.76 175.89 2jr1 s PHE 77 N 0.68 3.51 -0.49 0.00 -0.71 -1.26 -4.10 117.98 115.60 2jr1 s PHE 77 Ca 0.08 0.47 -0.28 0.00 -1.04 0.00 0.00 56.93 56.17 2jr1 s PHE 77 Cb -0.12 -2.00 -0.00 0.00 -1.21 0.00 0.00 43.02 39.69 2jr1 s PHE 77 CO 0.01 0.05 1.62 -1.25 -1.34 0.00 0.00 175.22 174.31 2jr1 s PRO 78 N -4.33 3.19 0.00 1.99 0.04 -1.26 -4.66 135.00 129.97 2jr1 s PRO 78 Ca 0.42 0.81 0.00 0.00 0.04 0.00 0.00 61.00 62.27 2jr1 s PRO 78 Cb -0.10 -4.19 0.00 0.00 0.04 0.00 0.00 34.50 30.25 2jr1 s PRO 78 CO 0.37 -2.05 0.00 0.41 0.04 0.00 0.00 177.00 175.77