#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 -0.21 -3.46 4.37 -0.73 -2.03 -3.41 115.58 110.10 2jr1 h ASN 2 Ca 0.00 -0.31 -0.70 0.00 1.87 0.00 0.00 56.30 57.16 2jr1 h ASN 2 Cb 0.00 0.06 -0.19 0.00 0.27 0.00 0.00 38.32 38.46 2jr1 h ASN 2 CO 0.00 0.27 -0.17 0.54 -0.37 0.00 0.00 177.43 177.70 2jr1 s VAL 3 N -3.92 5.06 -0.14 2.57 0.11 -1.26 -4.91 120.40 117.90 2jr1 s VAL 3 Ca -0.14 -0.45 -0.05 0.00 -2.93 0.00 0.00 61.98 58.41 2jr1 s VAL 3 Cb 0.01 -4.10 0.07 0.00 -1.53 0.00 0.00 36.38 30.83 2jr1 s VAL 3 CO 0.52 -0.51 0.27 -0.75 -3.33 0.00 0.00 175.10 171.30 2jr1 s LYS 4 N 2.18 0.17 1.06 1.54 2.20 -1.26 -5.17 119.74 120.46 2jr1 s LYS 4 Ca 0.12 0.73 -0.12 0.00 -0.36 0.00 0.00 55.97 56.34 2jr1 s LYS 4 Cb -0.18 -0.09 0.23 0.00 -1.51 0.00 0.00 37.83 36.27 2jr1 s LYS 4 CO 0.13 -0.32 1.08 -0.65 -0.36 0.00 0.00 175.35 175.23 2jr1 s GLN 5 N 2.43 -0.11 0.64 4.03 -1.52 -1.26 -4.92 119.66 118.96 2jr1 s GLN 5 Ca 0.02 1.16 -0.07 0.00 -1.95 0.00 0.00 55.36 54.51 2jr1 s GLN 5 Cb -0.12 -1.62 0.02 0.00 -0.22 0.00 0.00 33.01 31.07 2jr1 s GLN 5 CO -0.09 -3.28 0.97 0.15 -0.25 0.00 0.00 175.29 172.79 2jr1 s LYS 6 N -4.53 2.71 -0.26 2.91 -0.14 -1.26 -5.03 119.74 114.14 2jr1 s LYS 6 Ca 0.68 0.02 -0.06 0.00 -1.36 0.00 0.00 55.97 55.24 2jr1 s LYS 6 Cb -0.24 -2.20 0.13 0.00 -1.68 0.00 0.00 37.83 33.84 2jr1 s LYS 6 CO 0.62 -0.91 0.52 -1.12 -0.76 0.00 0.00 175.35 173.70 2jr1 s SER 7 N -4.37 -0.68 -0.33 2.83 0.01 -1.26 -4.99 113.70 104.90 2jr1 s SER 7 Ca 0.56 1.08 -0.03 0.00 1.31 0.00 0.00 55.95 58.88 2jr1 s SER 7 Cb -0.11 1.79 0.06 0.00 0.21 0.00 0.00 66.02 67.97 2jr1 s SER 7 CO 0.46 -0.24 0.06 -1.61 0.41 0.00 0.00 173.24 172.32 2jr1 s GLU 8 N 2.74 2.35 -0.10 12.44 2.02 -1.25 -3.06 118.70 133.85 2jr1 s GLU 8 Ca 0.02 -1.38 -0.03 0.00 0.02 0.00 0.00 54.97 53.61 2jr1 s GLU 8 Cb -0.13 -3.31 -0.03 0.00 0.10 0.00 0.00 34.13 30.75 2jr1 s GLU 8 CO -0.17 -0.73 0.01 0.42 0.02 0.00 0.00 175.26 174.82 2jr1 s ILE 9 N 1.25 4.41 0.64 -1.63 -1.09 -0.04 -5.00 121.20 119.75 2jr1 s ILE 9 Ca -0.02 -0.20 -0.13 0.00 -2.23 0.00 0.00 60.65 58.07 2jr1 s ILE 9 Cb -0.20 -2.87 -0.02 0.00 -1.58 0.00 0.00 42.46 37.79 2jr1 s ILE 9 CO -0.01 0.59 1.05 -0.89 -1.23 0.00 0.00 174.94 174.45 2jr1 s THR 10 N -0.75 4.00 -0.06 2.92 2.01 -1.26 -3.44 115.64 119.05 2jr1 s THR 10 Ca 0.12 0.79 -0.30 0.00 0.31 0.00 0.00 61.69 62.61 2jr1 s THR 10 Cb -0.12 -3.43 -0.06 0.00 0.01 0.00 0.00 72.50 68.90 2jr1 s THR 10 CO 0.02 -0.72 1.84 0.00 -0.69 0.00 0.00 174.62 175.07 2jr1 s ALA 11 N -2.78 3.45 -0.01 7.40 0.00 -1.16 -4.87 121.76 123.79 2jr1 s ALA 11 Ca 0.60 1.00 -0.01 0.00 0.00 0.00 0.00 51.96 53.55 2jr1 s ALA 11 Cb -0.14 -3.84 -0.04 0.00 0.00 0.00 0.00 23.12 19.10 2jr1 s ALA 11 CO 0.46 -1.70 0.13 -1.17 0.00 0.00 0.00 175.76 173.47 2jr1 s LEU 12 N 4.86 4.11 0.25 0.00 2.96 -1.26 -4.82 118.68 124.77 2jr1 s LEU 12 Ca 0.82 0.24 -0.30 0.00 -0.22 0.00 0.00 54.13 54.67 2jr1 s LEU 12 Cb -0.36 -2.42 -0.09 0.00 0.50 0.00 0.00 46.19 43.82 2jr1 s LEU 12 CO 0.35 0.27 1.16 0.68 -1.32 0.00 0.00 176.35 177.48 2jr1 s VAL 13 N -1.25 3.44 0.33 1.68 -7.23 -1.26 -4.29 120.40 111.82 2jr1 s VAL 13 Ca 0.25 1.35 -0.29 0.00 -1.81 0.00 0.00 61.98 61.48 2jr1 s VAL 13 Cb -0.12 -3.86 -0.12 0.00 0.56 0.00 0.00 36.38 32.84 2jr1 s VAL 13 CO 0.16 0.28 1.36 1.17 -0.31 0.00 0.00 175.10 177.76 2jr1 n LYS 14 N 1.65 2.23 -2.74 4.82 4.81 -0.86 -4.86 118.16 123.21 2jr1 n LYS 14 Ca 0.01 0.79 -0.42 0.00 -0.87 0.00 0.00 58.31 57.82 2jr1 n LYS 14 Cb 0.44 -2.41 -0.03 0.00 0.02 0.00 0.00 35.03 33.05 2jr1 n LYS 14 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 2jr1 s GLU 15 N -1.59 4.52 -0.02 1.64 8.01 -1.26 -4.35 118.70 125.66 2jr1 s GLU 15 Ca 0.58 1.37 -0.12 0.00 0.01 0.00 0.00 54.97 56.81 2jr1 s GLU 15 Cb -0.56 -3.47 0.02 0.00 -4.31 0.00 0.00 34.13 25.80 2jr1 s GLU 15 CO 0.60 -0.09 0.25 0.08 0.01 0.00 0.00 175.26 176.11 2jr1 s VAL 16 N 1.17 0.06 0.07 2.63 1.01 -1.26 -5.08 120.40 119.00 2jr1 s VAL 16 Ca 0.50 -0.47 -0.27 0.00 0.00 0.00 0.00 61.98 61.75 2jr1 s VAL 16 Cb -0.20 -0.53 -0.17 0.00 0.00 0.00 0.00 36.38 35.48 2jr1 s VAL 16 CO 0.25 -0.26 1.64 0.74 0.00 0.00 0.00 175.10 177.48 2jr1 h THR 17 N 4.11 0.75 -4.32 3.92 2.02 -1.97 -3.44 112.91 113.99 2jr1 h THR 17 Ca -0.29 -0.09 -0.51 0.00 0.77 0.00 0.00 66.41 66.29 2jr1 h THR 17 Cb 1.18 0.80 0.11 0.00 -1.74 0.00 0.00 68.15 68.51 2jr1 h THR 17 CO 0.39 0.02 0.35 -2.16 0.37 0.00 0.00 175.52 174.49 2jr1 s PRO 18 N -5.95 2.59 -1.24 6.66 0.04 -1.26 -4.95 135.00 130.89 2jr1 s PRO 18 Ca -0.15 0.99 -0.19 0.00 0.04 0.00 0.00 61.00 61.69 2jr1 s PRO 18 Cb 0.05 -1.95 -0.00 0.00 0.04 0.00 0.00 34.50 32.64 2jr1 s PRO 18 CO 0.64 -1.36 1.89 -0.35 0.04 0.00 0.00 177.00 177.86 2jr1 n PRO 19 N -3.31 2.53 -4.07 0.56 -0.04 -1.26 -4.89 135.00 124.53 2jr1 n PRO 19 Ca 0.08 -2.80 -0.13 0.00 -0.04 0.00 0.00 63.50 60.60 2jr1 n PRO 19 Cb 0.54 -3.47 -0.12 0.00 -0.04 0.00 0.00 33.50 30.40 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 4.76 0.43 -0.06 0.54 6.06 -1.26 -5.17 118.95 124.25 2jr1 s ARG 20 Ca 0.57 -0.50 0.02 0.00 -2.50 0.00 0.00 55.73 53.32 2jr1 s ARG 20 Cb 0.05 -0.26 0.01 0.00 0.06 0.00 0.00 34.95 34.82 2jr1 s ARG 20 CO 0.07 0.05 -0.11 0.15 -2.50 0.00 0.00 175.30 172.96 2jr1 s LYS 21 N -0.99 1.59 0.15 5.12 3.01 -1.26 -4.47 119.74 122.88 2jr1 s LYS 21 Ca -0.06 -0.38 0.04 0.00 -1.01 0.00 0.00 55.97 54.55 2jr1 s LYS 21 Cb -0.07 -1.33 -0.04 0.00 -1.01 0.00 0.00 37.83 35.38 2jr1 s LYS 21 CO 0.00 0.02 0.19 0.00 0.51 0.00 0.00 175.35 176.08 2jr1 s ALA 22 N 0.66 3.75 -1.51 5.17 0.00 -1.26 -4.91 121.76 123.66 2jr1 s ALA 22 Ca -0.14 -1.11 -0.13 0.00 0.00 0.00 0.00 51.96 50.59 2jr1 s ALA 22 Cb -0.15 -1.55 -0.01 0.00 0.00 0.00 0.00 23.12 21.41 2jr1 s ALA 22 CO 0.03 0.55 2.47 -0.35 0.00 0.00 0.00 175.76 178.47 2jr1 n PRO 23 N -0.32 3.11 -3.03 0.00 -0.04 -1.26 -2.02 135.00 131.44 2jr1 n PRO 23 Ca -0.08 -2.45 -0.40 0.00 -0.04 0.00 0.00 63.50 60.53 2jr1 n PRO 23 Cb 0.54 -3.12 -0.05 0.00 -0.04 0.00 0.00 33.50 30.83 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 2.88 7.08 -0.87 3.54 1.04 -1.26 -5.00 113.70 121.11 2jr1 s SER 24 Ca 0.55 1.30 -0.22 0.00 0.48 0.00 0.00 55.95 58.05 2jr1 s SER 24 Cb 0.15 -2.43 0.08 0.00 0.10 0.00 0.00 66.02 63.92 2jr1 s SER 24 CO -0.08 -0.06 1.21 -0.54 0.98 0.00 0.00 173.24 174.76 2jr1 s LYS 25 N 0.41 3.44 -0.25 4.02 3.01 -1.22 -4.36 119.74 124.79 2jr1 s LYS 25 Ca 0.38 -1.17 -0.24 0.00 -1.01 0.00 0.00 55.97 53.93 2jr1 s LYS 25 Cb -0.19 -4.80 -0.00 0.00 -1.01 0.00 0.00 37.83 31.82 2jr1 s LYS 25 CO 0.20 -1.96 0.82 0.00 0.51 0.00 0.00 175.35 174.92 2jr1 s ALA 26 N 4.08 3.63 -0.35 5.17 0.00 -1.26 -1.56 121.76 131.46 2jr1 s ALA 26 Ca 0.35 -0.19 0.01 0.00 0.00 0.00 0.00 51.96 52.13 2jr1 s ALA 26 Cb -0.06 -3.29 0.11 0.00 0.00 0.00 0.00 23.12 19.88 2jr1 s ALA 26 CO -0.02 -0.98 0.11 0.15 0.00 0.00 0.00 175.76 175.02 2jr1 s LYS 27 N 2.87 1.12 -0.43 0.00 -0.14 -0.29 -3.01 119.74 119.87 2jr1 s LYS 27 Ca 0.34 -1.56 -0.04 0.00 -1.36 0.00 0.00 55.97 53.35 2jr1 s LYS 27 Cb -0.15 -2.52 0.11 0.00 -1.68 0.00 0.00 37.83 33.59 2jr1 s LYS 27 CO 0.08 -1.00 0.24 1.03 -0.76 0.00 0.00 175.35 174.94 2jr1 s ARG 28 N 1.09 2.10 -0.01 1.68 0.52 -1.22 -1.48 118.95 121.63 2jr1 s ARG 28 Ca 0.12 -1.83 0.00 0.00 -0.52 0.00 0.00 55.73 53.50 2jr1 s ARG 28 Cb -0.19 -3.65 0.02 0.00 0.52 0.00 0.00 34.95 31.64 2jr1 s ARG 28 CO -0.14 -1.10 0.01 -1.21 0.02 0.00 0.00 175.30 172.88 2jr1 s GLU 29 N 1.16 -0.01 -0.19 3.54 8.01 -0.91 -0.86 118.70 129.44 2jr1 s GLU 29 Ca 0.08 0.09 -0.21 0.00 0.01 0.00 0.00 54.97 54.94 2jr1 s GLU 29 Cb -0.23 -0.14 -0.02 0.00 -4.31 0.00 0.00 34.13 29.42 2jr1 s GLU 29 CO -0.04 -0.09 0.64 0.00 0.01 0.00 0.00 175.26 175.78 2jr1 s ALA 30 N 0.56 3.54 0.00 5.21 0.00 -1.17 -0.80 121.76 129.09 2jr1 s ALA 30 Ca -0.05 -0.26 0.00 0.00 0.00 0.00 0.00 51.96 51.66 2jr1 s ALA 30 Cb -0.07 -2.98 0.00 0.00 0.00 0.00 0.00 23.12 20.08 2jr1 s ALA 30 CO -0.02 -0.55 0.00 -0.35 0.00 0.00 0.00 175.76 174.85 2jr1 n PRO 31 N 5.02 0.00 -4.95 0.00 -0.04 -1.26 -4.80 135.00 128.97 2jr1 n PRO 31 Ca -0.01 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.18 2jr1 n PRO 31 Cb 0.50 0.00 -0.16 0.00 -0.04 0.00 0.00 33.50 33.80 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 1.84 1.58 0.38 0.52 -4.36 -1.26 -4.75 121.20 115.15 2jr1 s ILE 32 Ca 0.00 -0.81 0.19 0.00 -0.26 0.00 0.00 60.65 59.77 2jr1 s ILE 32 Cb 0.00 -1.34 0.19 0.00 1.25 0.00 0.00 42.46 42.56 2jr1 s ILE 32 CO 0.00 0.45 1.95 0.50 0.24 0.00 0.00 174.94 178.08 2jr1 h LYS 33 N 6.09 0.00 -0.12 0.37 1.63 -1.91 -1.87 116.57 120.76 2jr1 h LYS 33 Ca -0.34 0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 59.43 2jr1 h LYS 33 Cb 1.17 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.79 2jr1 h LYS 33 CO 0.48 0.23 -0.10 -0.92 -3.45 0.00 0.00 179.45 175.69 2jr1 h TYR 34 N 0.00 0.19 0.01 1.91 3.20 -1.97 -3.35 116.97 116.95 2jr1 h TYR 34 Ca -0.00 -0.02 -0.42 0.00 3.14 0.00 0.00 58.73 61.43 2jr1 h TYR 34 Cb 0.48 -0.06 -0.06 0.00 1.54 0.00 0.00 36.73 38.63 2jr1 h TYR 34 CO 0.00 0.29 -2.37 1.87 -1.64 0.00 0.00 178.16 176.30 2jr1 n TRP 35 N -4.33 0.17 -4.95 -3.82 -0.00 -1.21 -5.03 117.44 98.27 2jr1 n TRP 35 Ca -0.01 0.06 -0.33 0.00 -0.00 0.00 0.00 57.50 57.22 2jr1 n TRP 35 Cb 0.23 -1.02 -0.15 0.00 -0.00 0.00 0.00 31.31 30.37 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 -7.28 2.51 0.16 5.87 1.43 -0.71 -5.05 118.68 115.61 2jr1 s LEU 36 Ca -0.36 -0.38 0.18 0.00 -1.03 0.00 0.00 54.13 52.53 2jr1 s LEU 36 Cb 0.12 -1.53 0.79 0.00 0.03 0.00 0.00 46.19 45.60 2jr1 s LEU 36 CO 0.54 0.20 1.55 -0.81 0.23 0.00 0.00 176.35 178.05 2jr1 n PRO 37 N 3.30 0.11 -3.79 1.29 -0.04 -1.26 -4.05 135.00 130.55 2jr1 n PRO 37 Ca -0.18 0.42 -0.28 0.00 -0.04 0.00 0.00 63.50 63.41 2jr1 n PRO 37 Cb 0.53 -1.73 -0.16 0.00 -0.04 0.00 0.00 33.50 32.09 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 -3.22 1.42 -0.60 0.54 5.04 -1.26 -4.82 115.29 112.38 2jr1 s HIS 38 Ca 0.03 -1.12 -0.23 0.00 -1.54 0.00 0.00 55.06 52.20 2jr1 s HIS 38 Cb 0.08 -1.19 0.06 0.00 0.04 0.00 0.00 32.58 31.57 2jr1 s HIS 38 CO 0.28 -0.66 0.93 -1.54 -2.34 0.00 0.00 174.74 171.41 2jr1 s SER 39 N 1.72 6.25 0.00 9.88 1.04 -1.26 -4.75 113.70 126.59 2jr1 s SER 39 Ca -0.02 -0.69 0.00 0.00 0.48 0.00 0.00 55.95 55.72 2jr1 s SER 39 Cb -0.18 -2.42 0.00 0.00 0.10 0.00 0.00 66.02 63.52 2jr1 s SER 39 CO -0.07 -1.31 0.00 0.61 0.98 0.00 0.00 173.24 173.44 2jr1 n GLY 40 N 5.22 -0.32 3.29 7.32 0.00 -1.25 -4.64 105.19 114.81 2jr1 n GLY 40 Ca -0.01 0.42 -0.36 0.00 0.00 0.00 0.00 46.02 46.06 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 2.95 -0.59 4.61 0.00 0.01 -4.86 121.76 123.89 2jr1 s ALA 41 Ca 0.00 -1.50 -0.20 0.00 0.00 0.00 0.00 51.96 50.25 2jr1 s ALA 41 Cb 0.00 -2.03 0.08 0.00 0.00 0.00 0.00 23.12 21.17 2jr1 s ALA 41 CO 0.00 -0.96 0.79 -0.08 0.00 0.00 0.00 175.76 175.51 2jr1 s THR 42 N 1.43 4.64 -0.56 0.00 -1.32 -1.26 -2.13 115.64 116.44 2jr1 s THR 42 Ca 0.01 -0.60 -0.19 0.00 -1.21 0.00 0.00 61.69 59.70 2jr1 s THR 42 Cb -0.17 -4.52 0.08 0.00 -1.51 0.00 0.00 72.50 66.38 2jr1 s THR 42 CO 0.00 -1.17 0.68 0.86 -2.21 0.00 0.00 174.62 172.78 2jr1 s TRP 43 N 3.20 3.01 -0.91 9.09 -0.11 -0.55 -4.93 118.94 127.74 2jr1 s TRP 43 Ca 0.17 -0.77 -0.18 0.00 1.22 0.00 0.00 56.10 56.54 2jr1 s TRP 43 Cb -0.20 -3.82 0.15 0.00 -1.50 0.00 0.00 33.47 28.10 2jr1 s TRP 43 CO 0.10 -1.19 1.05 -1.54 -4.62 0.00 0.00 176.95 170.74 2jr1 s SER 44 N 3.24 6.66 0.00 5.86 1.04 -1.26 -1.13 113.70 128.10 2jr1 s SER 44 Ca 0.13 -2.18 0.00 0.00 0.48 0.00 0.00 55.95 54.38 2jr1 s SER 44 Cb -0.22 -2.36 0.00 0.00 0.10 0.00 0.00 66.02 63.54 2jr1 s SER 44 CO 0.09 -0.96 0.00 0.61 0.98 0.00 0.00 173.24 173.96 2jr1 n GLY 45 N 5.18 -0.92 3.90 7.32 0.00 -0.60 -4.88 105.19 115.19 2jr1 n GLY 45 Ca 0.22 0.37 -0.32 0.00 0.00 0.00 0.00 46.02 46.29 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 3.55 -0.86 1.61 3.00 -1.25 -3.37 118.95 121.62 2jr1 s ARG 46 Ca 0.00 -0.21 -0.22 0.00 -1.00 0.00 0.00 55.73 54.29 2jr1 s ARG 46 Cb 0.00 -2.96 -0.14 0.00 0.00 0.00 0.00 34.95 31.84 2jr1 s ARG 46 CO 0.00 0.55 1.92 0.41 0.00 0.00 0.00 175.30 178.18 2jr1 n GLY 47 N 0.36 2.16 3.65 8.12 0.00 -1.26 -4.77 105.19 113.44 2jr1 n GLY 47 Ca -0.05 -1.13 -0.43 0.00 0.00 0.00 0.00 46.02 44.41 2jr1 n GLY 47 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2jr1 s LYS 48 N 5.38 4.12 -0.22 1.61 2.36 -1.26 -5.04 119.74 126.69 2jr1 s LYS 48 Ca 0.60 1.40 -0.00 0.00 -2.55 0.00 0.00 55.97 55.42 2jr1 s LYS 48 Cb 0.11 -3.77 0.06 0.00 -1.05 0.00 0.00 37.83 33.17 2jr1 s LYS 48 CO 0.13 -0.84 -0.04 0.42 1.55 0.00 0.00 175.35 176.57 2jr1 s ILE 49 N 3.72 1.30 -0.06 5.43 -1.09 -1.26 -4.81 121.20 124.43 2jr1 s ILE 49 Ca 0.52 -1.04 -0.00 0.00 -2.23 0.00 0.00 60.65 57.89 2jr1 s ILE 49 Cb -0.18 -1.60 0.02 0.00 -1.58 0.00 0.00 42.46 39.13 2jr1 s ILE 49 CO 0.16 -0.10 2.09 -0.81 -1.23 0.00 0.00 174.94 175.04 2jr1 n PRO 50 N 4.76 1.20 0.26 2.79 -0.04 -1.26 -4.42 135.00 138.29 2jr1 n PRO 50 Ca -0.11 -0.34 -0.12 0.00 -0.04 0.00 0.00 63.50 62.89 2jr1 n PRO 50 Cb 0.45 -1.16 -0.06 0.00 -0.04 0.00 0.00 33.50 32.69 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 1.20 -0.69 0.00 0.54 6.56 -1.98 -0.99 116.57 121.21 2jr1 h LYS 51 Ca 0.06 0.05 -0.00 0.00 -1.06 0.00 0.00 60.65 59.70 2jr1 h LYS 51 Cb 1.01 0.16 -0.00 0.00 -0.57 0.00 0.00 32.23 32.82 2jr1 h LYS 51 CO 0.15 -0.43 -0.00 -1.00 -2.06 0.00 0.00 179.45 176.11 2jr1 h PRO 52 N -1.15 0.00 0.06 3.15 0.13 -1.97 -1.54 132.00 130.67 2jr1 h PRO 52 Ca -0.07 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.05 2jr1 h PRO 52 Cb 0.58 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.71 2jr1 h PRO 52 CO 0.12 0.00 -0.03 0.35 -0.23 0.00 0.00 178.00 178.21 2jr1 h PHE 53 N 0.00 -0.07 0.00 1.56 3.57 -1.87 -2.99 116.94 117.13 2jr1 h PHE 53 Ca -0.00 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 2jr1 h PHE 53 Cb 0.00 0.02 -0.00 0.00 2.79 0.00 0.00 35.95 38.77 2jr1 h PHE 53 CO 0.00 -0.05 -0.05 1.49 -2.23 0.00 0.00 178.31 177.47 2jr1 h GLU 54 N -0.59 0.00 0.08 1.11 4.81 -1.20 0.15 114.58 118.95 2jr1 h GLU 54 Ca -0.01 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2jr1 h GLU 54 Cb 0.06 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.44 2jr1 h GLU 54 CO 0.01 0.05 -0.04 0.00 -0.73 0.00 0.00 179.01 178.30 2jr1 h ALA 55 N 1.95 -0.11 -0.42 2.92 0.00 -1.47 -2.39 119.26 119.74 2jr1 h ALA 55 Ca -0.00 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 2jr1 h ALA 55 Cb 0.12 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2jr1 h ALA 55 CO 0.01 -0.36 -0.00 2.35 0.00 0.00 0.00 179.25 181.24 2jr1 h TRP 56 N -0.52 0.72 0.00 0.00 2.91 -1.32 0.20 115.95 117.94 2jr1 h TRP 56 Ca -0.01 -0.09 0.00 0.00 1.13 0.00 0.00 58.89 59.92 2jr1 h TRP 56 Cb 0.43 -0.20 0.00 0.00 -0.51 0.00 0.00 29.16 28.88 2jr1 h TRP 56 CO 0.06 0.69 0.00 -0.89 -1.03 0.00 0.00 178.44 177.26 2jr1 n ILE 57 N -4.24 0.00 -0.00 2.65 2.08 0.50 -3.66 119.36 116.69 2jr1 n ILE 57 Ca 0.02 0.00 -0.00 0.00 0.56 0.00 0.00 62.75 63.33 2jr1 n ILE 57 Cb 0.28 -0.85 -0.01 0.00 -0.75 0.00 0.00 39.64 38.32 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 -0.45 -0.03 0.29 7.39 0.00 -0.36 -3.66 105.19 108.36 2jr1 n GLY 58 Ca 0.06 -0.01 0.09 0.00 0.00 0.00 0.00 46.02 46.16 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 0.33 0.00 2.61 2.02 -0.75 -2.94 112.91 114.18 2jr1 h THR 59 Ca -0.02 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 67.11 2jr1 h THR 59 Cb 1.05 0.16 0.00 0.00 -1.74 0.00 0.00 68.15 67.61 2jr1 h THR 59 CO 0.00 0.03 -0.92 0.00 0.37 0.00 0.00 175.52 175.00 2jr1 n ALA 60 N -2.84 1.92 0.26 6.16 0.00 -1.26 -4.89 120.51 119.86 2jr1 n ALA 60 Ca 0.17 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.73 2jr1 n ALA 60 Cb 0.57 0.23 0.70 0.00 0.00 0.00 0.00 19.45 20.94 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 1.25 -0.83 0.00 0.00 -1.78 -3.31 119.26 114.59 2jr1 h ALA 61 Ca 0.00 -0.12 0.20 0.00 0.00 0.00 0.00 54.91 54.99 2jr1 h ALA 61 Cb 0.92 -0.02 -0.15 0.00 0.00 0.00 0.00 17.79 18.54 2jr1 h ALA 61 CO 0.00 0.16 0.00 -0.92 0.00 0.00 0.00 179.25 178.50 2jr1 h TYR 62 N 0.00 -0.06 -0.84 0.00 3.20 -1.59 0.87 116.97 118.55 2jr1 h TYR 62 Ca -0.00 0.06 0.01 0.00 3.14 0.00 0.00 58.73 61.94 2jr1 h TYR 62 Cb 0.38 0.16 -0.04 0.00 1.54 0.00 0.00 36.73 38.77 2jr1 h TYR 62 CO 0.00 -0.30 0.56 0.00 -1.64 0.00 0.00 178.16 176.78 2jr1 h THR 63 N 0.08 1.22 -0.15 1.81 1.03 -1.85 0.12 112.91 115.17 2jr1 h THR 63 Ca 0.47 -0.39 -0.11 0.00 -0.01 0.00 0.00 66.41 66.36 2jr1 h THR 63 Cb 0.86 -0.02 0.00 0.00 -1.07 0.00 0.00 68.15 67.92 2jr1 h THR 63 CO -0.75 0.21 -0.34 0.00 -0.01 0.00 0.00 175.52 174.63 2jr1 h ALA 64 N 1.47 0.24 -0.52 0.00 0.00 -1.63 -3.30 119.26 115.52 2jr1 h ALA 64 Ca 0.31 -0.43 0.07 0.00 0.00 0.00 0.00 54.91 54.86 2jr1 h ALA 64 Cb -0.13 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.56 2jr1 h ALA 64 CO -0.07 0.30 0.19 2.35 0.00 0.00 0.00 179.25 182.02 2jr1 h TRP 65 N 0.12 0.34 -0.27 0.00 7.01 -0.65 -2.83 115.95 119.67 2jr1 h TRP 65 Ca 0.00 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.02 2jr1 h TRP 65 Cb 0.94 -0.07 -0.01 0.00 -2.10 0.00 0.00 29.16 27.91 2jr1 h TRP 65 CO 0.10 0.11 0.12 0.87 -2.79 0.00 0.00 178.44 176.85 2jr1 h LYS 66 N 0.37 0.36 -0.31 2.65 1.79 -1.12 -0.77 116.57 119.55 2jr1 h LYS 66 Ca 0.25 -0.03 -0.13 0.00 -2.18 0.00 0.00 60.65 58.56 2jr1 h LYS 66 Cb 0.27 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 30.83 2jr1 h LYS 66 CO -0.25 0.29 -0.34 0.00 -1.08 0.00 0.00 179.45 178.07 2jr1 h ALA 67 N 1.77 0.82 -0.04 3.86 0.00 -1.61 -3.37 119.26 120.70 2jr1 h ALA 67 Ca 0.09 -0.42 -0.09 0.00 0.00 0.00 0.00 54.91 54.50 2jr1 h ALA 67 Cb 0.05 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.72 2jr1 h ALA 67 CO -0.01 0.64 -0.32 0.87 0.00 0.00 0.00 179.25 180.43 2jr1 h LYS 68 N 0.58 0.29 -4.73 0.00 1.57 -1.22 -3.47 116.57 109.58 2jr1 h LYS 68 Ca 0.06 -0.26 -0.33 0.00 -1.87 0.00 0.00 60.65 58.25 2jr1 h LYS 68 Cb 0.85 0.06 -0.23 0.00 0.08 0.00 0.00 32.23 32.99 2jr1 h LYS 68 CO 0.07 0.93 -0.75 -1.01 -0.57 0.00 0.00 179.45 178.12 2jr1 s HIS 69 N -3.45 0.79 0.00 -1.35 3.76 -0.33 -5.12 115.29 109.58 2jr1 s HIS 69 Ca -0.15 -0.38 0.00 0.00 -0.15 0.00 0.00 55.06 54.39 2jr1 s HIS 69 Cb 0.03 -0.47 0.00 0.00 1.11 0.00 0.00 32.58 33.25 2jr1 s HIS 69 CO 0.77 -0.03 0.19 -0.35 -0.85 0.00 0.00 174.74 174.47 2jr1 n PRO 70 N 1.86 0.00 -3.39 8.40 -0.04 -1.26 -4.12 135.00 136.45 2jr1 n PRO 70 Ca -0.20 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.00 2jr1 n PRO 70 Cb 0.55 -0.68 -0.08 0.00 -0.04 0.00 0.00 33.50 33.25 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 -0.47 1.93 -0.08 3.54 2.03 -1.26 -4.78 116.55 117.45 2jr1 n ASP 71 Ca 0.00 -3.03 -0.11 0.00 0.52 0.00 0.00 54.79 52.17 2jr1 n ASP 71 Cb 0.00 -0.66 -0.06 0.00 -0.72 0.00 0.00 41.12 39.69 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 4.40 0.00 -6.81 -0.67 4.81 -1.93 -3.46 114.58 110.92 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 0.78 0.00 0.05 0.00 0.63 0.00 0.00 28.75 30.21 2jr1 h GLU 72 CO 0.64 0.41 0.63 0.21 -0.73 0.00 0.00 179.01 180.16 2jr1 s LYS 73 N -2.25 4.39 0.12 1.92 2.36 -1.26 -4.24 119.74 120.78 2jr1 s LYS 73 Ca -0.19 2.13 -0.31 0.00 -2.55 0.00 0.00 55.97 55.05 2jr1 s LYS 73 Cb 0.03 -3.12 -0.07 0.00 -1.05 0.00 0.00 37.83 33.62 2jr1 s LYS 73 CO 0.36 -0.17 1.27 0.12 1.55 0.00 0.00 175.35 178.48 2jr1 s PHE 74 N -0.77 3.36 -1.21 4.03 5.36 -1.26 -4.92 117.98 122.57 2jr1 s PHE 74 Ca 0.51 1.21 -0.22 0.00 -0.96 0.00 0.00 56.93 57.48 2jr1 s PHE 74 Cb -0.38 -3.52 -0.06 0.00 -0.34 0.00 0.00 43.02 38.72 2jr1 s PHE 74 CO 0.47 -1.65 1.90 -1.25 -1.46 0.00 0.00 175.22 173.22 2jr1 s PRO 75 N 0.67 2.79 -0.17 10.12 0.04 -1.26 -4.93 135.00 142.26 2jr1 s PRO 75 Ca 0.59 -1.35 -0.12 0.00 0.04 0.00 0.00 61.00 60.16 2jr1 s PRO 75 Cb -0.33 -5.31 -0.05 0.00 0.04 0.00 0.00 34.50 28.86 2jr1 s PRO 75 CO 0.32 -3.65 0.22 0.00 0.04 0.00 0.00 177.00 173.92 2jr1 s ALA 76 N 9.69 3.65 0.24 8.56 0.00 -1.26 -5.11 121.76 137.53 2jr1 s ALA 76 Ca 0.65 -0.56 0.06 0.00 0.00 0.00 0.00 51.96 52.11 2jr1 s ALA 76 Cb 0.00 -2.27 -0.03 0.00 0.00 0.00 0.00 23.12 20.82 2jr1 s ALA 76 CO 0.12 0.16 0.28 -0.59 0.00 0.00 0.00 175.76 175.74 2jr1 s PHE 77 N 0.31 3.30 -0.67 0.00 -0.71 -1.26 -4.33 117.98 114.62 2jr1 s PHE 77 Ca 0.13 -0.06 -0.27 0.00 -1.04 0.00 0.00 56.93 55.69 2jr1 s PHE 77 Cb -0.12 -1.50 0.02 0.00 -1.21 0.00 0.00 43.02 40.21 2jr1 s PHE 77 CO 0.01 0.48 1.37 -1.25 -1.34 0.00 0.00 175.22 174.49 2jr1 s PRO 78 N -3.89 3.19 0.00 1.99 0.04 -1.26 -4.75 135.00 130.31 2jr1 s PRO 78 Ca 0.33 0.06 0.00 0.00 0.04 0.00 0.00 61.00 61.44 2jr1 s PRO 78 Cb -0.09 -4.17 0.00 0.00 0.04 0.00 0.00 34.50 30.28 2jr1 s PRO 78 CO 0.27 -2.12 0.29 0.41 0.04 0.00 0.00 177.00 175.89