#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ju4 n ASN 2 N 0.00 -0.86 -2.23 7.83 0.23 -1.26 -4.65 115.26 114.32 2ju4 n ASN 2 Ca 0.00 0.43 0.01 0.00 -0.53 0.00 0.00 54.58 54.49 2ju4 n ASN 2 Cb 0.00 -0.92 0.04 0.00 -2.08 0.00 0.00 39.78 36.82 2ju4 n ASN 2 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 2ju4 n LEU 3 N -2.27 1.49 -4.61 -4.53 4.77 -1.26 -5.07 117.00 105.52 2ju4 n LEU 3 Ca 0.00 -2.70 -0.47 0.00 -0.03 0.00 0.00 56.01 52.81 2ju4 n LEU 3 Cb 0.43 0.24 -0.05 0.00 -2.33 0.00 0.00 43.42 41.71 2ju4 n LEU 3 CO 0.00 0.87 1.68 1.21 -1.33 0.00 0.00 177.39 179.82 2ju4 n GLU 4 N -0.18 1.97 -1.09 3.23 2.13 -1.26 -4.89 120.64 120.54 2ju4 n GLU 4 Ca 0.08 0.64 -0.36 0.00 0.66 0.00 0.00 57.16 58.19 2ju4 n GLU 4 Cb 0.94 -2.83 0.06 0.00 0.27 0.00 0.00 31.44 29.89 2ju4 n GLU 4 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 2ju4 n PRO 5 N 7.71 0.05 -1.52 5.31 -0.02 -1.26 -4.96 135.00 140.32 2ju4 n PRO 5 Ca 0.28 0.05 -0.30 0.00 -2.02 0.00 0.00 63.50 61.51 2ju4 n PRO 5 Cb 0.34 -1.51 0.09 0.00 -0.02 0.00 0.00 33.50 32.40 2ju4 n PRO 5 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2ju4 s PRO 6 N -2.51 2.10 0.00 0.52 0.04 -1.26 -5.05 135.00 128.84 2ju4 s PRO 6 Ca 0.56 0.69 0.00 0.00 0.04 0.00 0.00 61.00 62.29 2ju4 s PRO 6 Cb -0.30 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.33 2ju4 s PRO 6 CO 0.67 -1.62 0.00 1.63 0.04 0.00 0.00 177.00 177.72 2ju4 n LYS 7 N -3.44 0.00 0.00 4.56 4.01 -1.26 -4.85 118.16 117.18 2ju4 n LYS 7 Ca 0.07 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.87 2ju4 n LYS 7 Cb 0.56 -0.24 0.00 0.00 -0.51 0.00 0.00 35.03 34.84 2ju4 n LYS 7 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2ju4 n ALA 8 N -1.78 0.00 0.00 7.82 0.00 -1.26 -5.02 120.51 120.28 2ju4 n ALA 8 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2ju4 n ALA 8 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2ju4 n ALA 8 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2ju4 n GLU 9 N 5.86 0.00 -0.69 0.00 4.07 -1.26 -5.25 120.64 123.36 2ju4 n GLU 9 Ca 0.00 0.00 0.01 0.00 -0.06 0.00 0.00 57.16 57.11 2ju4 n GLU 9 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 2ju4 n GLU 9 CO 0.00 0.00 0.00 2.89 -0.06 0.00 0.00 177.13 179.96 2ju4 n ARG 11 N -1.83 0.00 -0.03 5.31 1.85 -1.26 -4.97 116.66 115.73 2ju4 n ARG 11 Ca 0.00 -1.19 -0.06 0.00 -1.00 0.00 0.00 57.85 55.60 2ju4 n ARG 11 Cb 0.00 -0.40 -0.04 0.00 -1.05 0.00 0.00 32.46 30.97 2ju4 n ARG 11 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 2ju4 h SER 12 N 0.19 -0.71 -0.43 2.89 0.87 -2.04 -3.43 113.55 110.90 2ju4 h SER 12 Ca -0.04 0.09 0.02 0.00 -1.23 0.00 0.00 61.79 60.63 2ju4 h SER 12 Cb 1.50 0.28 -0.17 0.00 -0.44 0.00 0.00 62.40 63.57 2ju4 h SER 12 CO 0.02 -0.18 -0.22 0.00 -0.53 0.00 0.00 176.83 175.92 2ju4 s ALA 13 N -4.44 -3.85 -0.21 6.23 0.00 -1.26 -4.91 121.76 113.33 2ju4 s ALA 13 Ca -0.06 0.65 0.00 0.00 0.00 0.00 0.00 51.96 52.55 2ju4 s ALA 13 Cb 0.03 -2.93 0.00 0.00 0.00 0.00 0.00 23.12 20.22 2ju4 s ALA 13 CO 0.24 -2.43 0.00 0.25 0.00 0.00 0.00 175.76 173.82 2ju4 n THR 14 N 3.29 0.00 -3.28 0.00 -2.24 -1.26 -2.86 114.28 107.93 2ju4 n THR 14 Ca 0.10 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.63 2ju4 n THR 14 Cb 0.62 -0.50 0.02 0.00 -2.10 0.00 0.00 70.33 68.37 2ju4 n THR 14 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2ju4 n ARG 15 N -0.06 -2.02 -2.68 -0.78 0.00 -1.26 -4.95 116.66 104.91 2ju4 n ARG 15 Ca -0.02 1.62 -0.05 0.00 -0.00 0.00 0.00 57.85 59.40 2ju4 n ARG 15 Cb 0.22 -3.56 0.12 0.00 0.00 0.00 0.00 32.46 29.24 2ju4 n ARG 15 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96 2ju4 n VAL 16 N -0.54 0.00 0.00 5.15 0.24 -1.13 -5.10 118.33 116.94 2ju4 n VAL 16 Ca -0.03 -1.30 0.00 0.00 -2.04 0.00 0.00 64.34 60.97 2ju4 n VAL 16 Cb 0.60 0.99 0.00 0.00 -1.47 0.00 0.00 33.84 33.96 2ju4 n VAL 16 CO 0.00 0.00 0.00 1.15 -2.14 0.00 0.00 176.83 175.84 2ju4 n MET 17 N -0.94 0.00 -2.57 7.34 0.00 -1.26 -4.76 117.12 114.92 2ju4 n MET 17 Ca -0.09 0.00 -0.33 0.00 0.00 0.00 0.00 57.70 57.28 2ju4 n MET 17 Cb 0.86 0.00 -0.05 0.00 0.00 0.00 0.00 33.22 34.03 2ju4 n MET 17 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 2ju4 s GLY 18 N 0.00 2.27 -0.26 3.17 0.00 -1.26 -4.44 107.32 106.80 2ju4 s GLY 18 Ca 0.00 0.35 -0.01 0.00 0.00 0.00 0.00 44.72 45.06 2ju4 s GLY 18 CO 0.00 0.64 0.27 0.61 0.00 0.00 0.00 173.10 174.61 2ju4 n GLY 19 N -0.95 -0.73 1.87 0.20 0.00 -1.26 -5.14 105.19 99.18 2ju4 n GLY 19 Ca 0.07 0.15 -0.07 0.00 0.00 0.00 0.00 46.02 46.17 2ju4 n GLY 19 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2ju4 n PRO 20 N -1.11 -0.10 -4.24 1.61 -0.02 -1.26 -5.02 135.00 124.86 2ju4 n PRO 20 Ca 0.01 -0.34 -0.14 0.00 -2.02 0.00 0.00 63.50 61.02 2ju4 n PRO 20 Cb 0.43 -0.85 -0.10 0.00 -0.02 0.00 0.00 33.50 32.96 2ju4 n PRO 20 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 2ju4 s THR 22 N -1.44 1.02 -0.30 3.45 -1.32 -1.26 -5.15 115.64 110.65 2ju4 s THR 22 Ca 0.15 -2.03 -0.17 0.00 -1.21 0.00 0.00 61.69 58.44 2ju4 s THR 22 Cb -0.03 -1.87 -0.18 0.00 -1.51 0.00 0.00 72.50 68.91 2ju4 s THR 22 CO 0.13 -0.72 1.58 -0.81 -2.21 0.00 0.00 174.62 172.59 2ju4 n PRO 23 N -0.19 0.64 -1.27 7.08 -0.04 -1.26 -4.79 135.00 135.17 2ju4 n PRO 23 Ca -0.10 -1.12 0.14 0.00 -0.04 0.00 0.00 63.50 62.38 2ju4 n PRO 23 Cb 0.61 -2.45 -0.07 0.00 -0.04 0.00 0.00 33.50 31.55 2ju4 n PRO 23 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2ju4 n ARG 24 N 6.42 -2.65 0.00 0.54 5.12 -1.26 -4.95 116.66 119.87 2ju4 n ARG 24 Ca 0.35 2.13 0.00 0.00 -1.93 0.00 0.00 57.85 58.40 2ju4 n ARG 24 Cb 0.26 -3.22 0.00 0.00 -1.16 0.00 0.00 32.46 28.34 2ju4 n ARG 24 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 2ju4 n LYS 25 N -4.04 2.87 0.07 5.56 3.00 -1.26 -5.10 118.16 119.26 2ju4 n LYS 25 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.24 2ju4 n LYS 25 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.61 2ju4 n LYS 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2ju4 n GLY 26 N 5.00 -0.64 3.31 3.14 0.00 -1.26 -5.12 105.19 109.61 2ju4 n GLY 26 Ca 0.00 0.10 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 2ju4 n GLY 26 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2ju4 n PRO 27 N -2.90 -0.35 -1.16 1.61 -0.02 -1.26 -4.85 135.00 126.08 2ju4 n PRO 27 Ca 0.00 -0.07 -0.38 0.00 -2.02 0.00 0.00 63.50 61.03 2ju4 n PRO 27 Cb 0.00 -1.64 0.02 0.00 -0.02 0.00 0.00 33.50 31.86 2ju4 n PRO 27 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2ju4 n PRO 28 N -0.76 0.02 -3.65 0.52 -0.02 -1.26 -5.25 135.00 124.60 2ju4 n PRO 28 Ca 0.04 0.01 -0.27 0.00 -2.02 0.00 0.00 63.50 61.25 2ju4 n PRO 28 Cb 0.55 -1.05 -0.16 0.00 -0.02 0.00 0.00 33.50 32.82 2ju4 n PRO 28 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2ju4 s LYS 29 N -1.45 0.35 -0.74 -0.52 2.20 -1.26 -5.16 119.74 113.15 2ju4 s LYS 29 Ca 0.52 -0.36 -0.02 0.00 -0.36 0.00 0.00 55.97 55.74 2ju4 s LYS 29 Cb -0.38 -1.83 -0.02 0.00 -1.51 0.00 0.00 37.83 34.09 2ju4 s LYS 29 CO 0.72 -0.75 0.63 1.63 -0.36 0.00 0.00 175.35 177.22 2ju4 n LYS 31 N 5.15 -3.16 -3.00 4.03 4.76 -1.26 -5.17 118.16 119.51 2ju4 n LYS 31 Ca -0.07 0.56 -0.16 0.00 -2.87 0.00 0.00 58.31 55.77 2ju4 n LYS 31 Cb 0.47 -4.55 0.00 0.00 -1.84 0.00 0.00 35.03 29.11 2ju4 n LYS 31 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2ju4 n GLN 32 N -2.87 0.87 -0.78 1.97 10.64 -1.26 -5.13 117.38 120.81 2ju4 n GLN 32 Ca -0.13 -2.69 -0.33 0.00 -1.83 0.00 0.00 57.00 52.02 2ju4 n GLN 32 Cb 0.60 -1.37 0.13 0.00 -0.86 0.00 0.00 30.24 28.73 2ju4 n GLN 32 CO 0.00 0.00 0.00 -2.13 -1.83 0.00 0.00 177.06 173.10 2ju4 n ARG 33 N 0.89 -0.37 0.00 2.61 0.63 -1.26 -4.57 116.66 114.59 2ju4 n ARG 33 Ca 0.17 -0.06 0.00 0.00 -0.92 0.00 0.00 57.85 57.03 2ju4 n ARG 33 Cb 0.63 -1.88 0.00 0.00 0.45 0.00 0.00 32.46 31.66 2ju4 n ARG 33 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2ju4 n GLN 34 N -1.86 0.00 0.00 -0.14 -0.00 -1.26 -4.99 117.38 109.13 2ju4 n GLN 34 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.07 2ju4 n GLN 34 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 30.24 30.78 2ju4 n GLN 34 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.06 174.69 2ju4 n THR 35 N 0.00 0.00 0.78 -0.39 5.66 -1.26 -4.92 114.28 114.15 2ju4 n THR 35 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2ju4 n THR 35 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 2ju4 n THR 35 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2ju4 n ARG 36 N -0.13 0.78 0.00 1.09 3.00 -1.26 -4.95 116.66 115.19 2ju4 n ARG 36 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 2ju4 n ARG 36 Cb 0.00 -1.37 0.02 0.00 0.00 0.00 0.00 32.46 31.11 2ju4 n ARG 36 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 2ju4 n GLN 37 N 0.14 0.99 -1.08 5.56 0.00 -1.26 -3.90 117.38 117.83 2ju4 n GLN 37 Ca 0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 57.00 56.81 2ju4 n GLN 37 Cb 0.21 -1.01 -0.14 0.00 0.00 0.00 0.00 30.24 29.30 2ju4 n GLN 37 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 2ju4 n LYS 39 N -0.51 2.41 0.00 3.69 3.00 -1.26 -4.98 118.16 120.52 2ju4 n LYS 39 Ca 0.01 -1.29 0.00 0.00 -0.00 0.00 0.00 58.31 57.02 2ju4 n LYS 39 Cb 0.00 -2.19 0.00 0.00 0.00 0.00 0.00 35.03 32.84 2ju4 n LYS 39 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 2ju4 n SER 40 N 2.75 0.00 -4.62 3.14 3.41 -1.26 -4.76 113.62 112.28 2ju4 n SER 40 Ca 0.52 0.00 -0.57 0.00 -0.26 0.00 0.00 58.87 58.56 2ju4 n SER 40 Cb 0.75 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.63 2ju4 n SER 40 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2ju4 n LYS 41 N 0.00 1.00 -1.79 4.33 5.02 -1.26 -4.91 118.16 120.55 2ju4 n LYS 41 Ca 0.00 0.35 -0.31 0.00 -2.02 0.00 0.00 58.31 56.33 2ju4 n LYS 41 Cb 0.00 -2.10 0.03 0.00 -0.02 0.00 0.00 35.03 32.94 2ju4 n LYS 41 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2ju4 s PRO 42 N 4.29 3.24 0.11 1.97 0.04 -1.26 -4.99 135.00 138.40 2ju4 s PRO 42 Ca 1.03 0.74 -0.31 0.00 0.04 0.00 0.00 61.00 62.50 2ju4 s PRO 42 Cb -1.08 -2.04 -0.09 0.00 0.04 0.00 0.00 34.50 31.32 2ju4 s PRO 42 CO 0.63 -0.83 1.71 -1.25 0.04 0.00 0.00 177.00 177.31 2ju4 s PRO 43 N -5.18 4.17 0.00 0.56 0.04 -1.26 -5.00 135.00 128.33 2ju4 s PRO 43 Ca 0.57 2.45 0.00 0.00 0.04 0.00 0.00 61.00 64.05 2ju4 s PRO 43 Cb -0.12 -3.50 0.00 0.00 0.04 0.00 0.00 34.50 30.92 2ju4 s PRO 43 CO 0.54 -0.76 0.00 1.63 0.04 0.00 0.00 177.00 178.45 2ju4 n LYS 44 N 5.30 0.79 0.00 4.56 5.02 -1.26 -4.32 118.16 128.25 2ju4 n LYS 44 Ca 0.16 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.45 2ju4 n LYS 44 Cb 0.39 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.40 2ju4 n LYS 44 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2ju4 n LYS 45 N 0.00 0.00 0.00 1.97 5.02 -1.26 -4.78 118.16 119.11 2ju4 n LYS 45 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2ju4 n LYS 45 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 2ju4 n LYS 45 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2ju4 n GLY 46 N 0.00 1.11 5.23 0.72 0.00 -1.26 -4.91 105.19 106.07 2ju4 n GLY 46 Ca 0.00 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.39 2ju4 n GLY 46 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2ju4 n VAL 47 N 0.00 0.00 0.41 1.61 0.24 -1.26 0.25 118.33 119.58 2ju4 n VAL 47 Ca 0.00 0.00 0.02 0.00 -2.04 0.00 0.00 64.34 62.32 2ju4 n VAL 47 Cb 0.00 0.00 0.13 0.00 -1.47 0.00 0.00 33.84 32.50 2ju4 n VAL 47 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2ju4 n GLN 48 N 4.64 0.20 0.07 7.34 10.64 -1.26 -4.28 117.38 134.73 2ju4 n GLN 48 Ca 0.00 0.00 -0.20 0.00 -1.83 0.00 0.00 57.00 54.97 2ju4 n GLN 48 Cb 0.00 -1.33 -0.15 0.00 -0.86 0.00 0.00 30.24 27.90 2ju4 n GLN 48 CO 0.00 0.00 0.00 0.78 -1.83 0.00 0.00 177.06 176.01 2ju4 h GLY 49 N 1.09 0.37 0.00 2.61 0.00 0.30 -3.53 103.07 103.92 2ju4 h GLY 49 Ca 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 47.33 46.38 2ju4 h GLY 49 CO 0.00 0.83 0.00 0.61 0.00 0.00 0.00 176.54 177.98 2ju4 n GLY 51 N 1.77 1.35 3.00 4.60 0.00 -1.26 -4.83 105.19 109.83 2ju4 n GLY 51 Ca -0.21 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.75 2ju4 n GLY 51 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ju4 s ASP 52 N 0.20 -0.15 -0.02 1.61 1.11 -1.26 -5.00 116.67 113.16 2ju4 s ASP 52 Ca 0.00 0.45 0.22 0.00 0.18 0.00 0.00 52.55 53.40 2ju4 s ASP 52 Cb 0.00 1.37 -0.30 0.00 1.07 0.00 0.00 42.92 45.06 2ju4 s ASP 52 CO 0.00 -0.28 0.59 -0.67 1.18 0.00 0.00 175.17 175.99 2ju4 n ASP 53 N 5.38 0.24 -3.13 0.27 -0.08 -1.26 -4.72 116.55 113.25 2ju4 n ASP 53 Ca -0.04 -0.19 -0.18 0.00 -1.51 0.00 0.00 54.79 52.87 2ju4 n ASP 53 Cb 0.50 1.73 -0.05 0.00 2.34 0.00 0.00 41.12 45.63 2ju4 n ASP 53 CO 0.00 0.00 0.00 2.30 0.12 0.00 0.00 177.20 179.62 2ju4 n ILE 54 N -2.11 -0.72 -2.67 5.18 -6.64 -1.26 -5.09 119.36 106.05 2ju4 n ILE 54 Ca -0.02 -2.51 -0.42 0.00 -1.77 0.00 0.00 62.75 58.03 2ju4 n ILE 54 Cb 0.52 -0.60 -0.03 0.00 -1.44 0.00 0.00 39.64 38.08 2ju4 n ILE 54 CO 0.00 0.00 0.00 -2.16 -1.77 0.00 0.00 176.55 172.62 2ju4 s PRO 55 N 0.32 3.30 0.00 6.28 0.04 -1.26 -4.14 135.00 139.54 2ju4 s PRO 55 Ca 0.32 -0.73 0.00 0.00 0.04 0.00 0.00 61.00 60.62 2ju4 s PRO 55 Cb 0.04 -4.53 0.00 0.00 0.04 0.00 0.00 34.50 30.05 2ju4 s PRO 55 CO -0.14 -2.04 0.00 0.41 0.04 0.00 0.00 177.00 175.27 2ju4 n GLY 56 N 5.71 1.15 0.37 0.56 0.00 -1.26 -4.95 105.19 106.78 2ju4 n GLY 56 Ca 0.10 -0.03 0.14 0.00 0.00 0.00 0.00 46.02 46.24 2ju4 n GLY 56 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2ju4 h MET 57 N 0.00 0.66 -0.58 1.61 -1.53 -2.03 0.80 114.93 113.87 2ju4 h MET 57 Ca 0.00 -0.04 0.00 0.00 -3.44 0.00 0.00 59.70 56.22 2ju4 h MET 57 Cb 0.00 -0.15 0.00 0.00 -0.55 0.00 0.00 31.60 30.90 2ju4 h MET 57 CO 0.00 0.44 0.00 0.39 0.14 0.00 0.00 176.91 177.88 2ju4 n GLU 58 N -4.69 2.50 -0.29 0.39 4.71 -1.26 -4.84 120.64 117.15 2ju4 n GLU 58 Ca 0.22 -2.08 -0.08 0.00 -0.01 0.00 0.00 57.16 55.21 2ju4 n GLU 58 Cb 0.60 -1.51 0.08 0.00 -1.01 0.00 0.00 31.44 29.60 2ju4 n GLU 58 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2ju4 n GLY 59 N 1.30 -1.80 3.00 0.62 0.00 0.28 -5.02 105.19 103.57 2ju4 n GLY 59 Ca 0.19 -0.59 -0.31 0.00 0.00 0.00 0.00 46.02 45.31 2ju4 n GLY 59 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2ju4 s GLY 61 N -1.53 1.63 -0.45 -0.02 0.00 -1.26 -4.60 107.32 101.09 2ju4 s GLY 61 Ca 0.18 -1.93 0.06 0.00 0.00 0.00 0.00 44.72 43.04 2ju4 s GLY 61 CO 0.15 0.86 1.08 -0.37 0.00 0.00 0.00 173.10 174.82 2ju4 n THR 62 N 4.45 -0.02 -0.78 0.90 5.66 -1.25 -5.02 114.28 118.22 2ju4 n THR 62 Ca -0.07 -1.74 -0.42 0.00 -3.05 0.00 0.00 64.05 58.77 2ju4 n THR 62 Cb 0.42 1.35 -0.08 0.00 -1.55 0.00 0.00 70.33 70.47 2ju4 n THR 62 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 2ju4 n ASP 63 N 0.42 1.78 -2.84 1.09 5.75 -1.25 -4.37 116.55 117.13 2ju4 n ASP 63 Ca 0.08 -2.55 -0.02 0.00 -0.01 0.00 0.00 54.79 52.28 2ju4 n ASP 63 Cb 0.69 -0.80 -0.02 0.00 -1.03 0.00 0.00 41.12 39.97 2ju4 n ASP 63 CO 0.00 0.00 0.00 -0.38 -0.11 0.00 0.00 177.20 176.71 2ju4 n ILE 64 N 6.37 -8.37 -0.29 2.12 5.41 -1.26 -4.74 119.36 118.60 2ju4 n ILE 64 Ca 0.46 1.56 0.11 0.00 1.00 0.00 0.00 62.75 65.89 2ju4 n ILE 64 Cb 0.39 -5.23 0.27 0.00 -0.71 0.00 0.00 39.64 34.35 2ju4 n ILE 64 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 176.55 177.26 2ju4 h THR 65 N 3.91 0.42 0.00 1.39 1.35 -1.98 -3.42 112.91 114.58 2ju4 h THR 65 Ca -0.19 -0.10 0.00 0.00 -0.55 0.00 0.00 66.41 65.57 2ju4 h THR 65 Cb 0.61 0.10 0.00 0.00 -1.73 0.00 0.00 68.15 67.13 2ju4 h THR 65 CO 0.03 0.05 0.00 1.33 -0.25 0.00 0.00 175.52 176.69 2ju4 n VAL 66 N -5.14 0.00 -4.05 6.82 0.24 -1.26 -5.08 118.33 109.86 2ju4 n VAL 66 Ca 0.20 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.38 2ju4 n VAL 66 Cb 0.62 0.00 -0.11 0.00 -1.47 0.00 0.00 33.84 32.87 2ju4 n VAL 66 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 2ju4 s ILE 67 N -1.59 0.44 0.02 1.34 1.09 -1.26 -5.10 121.20 116.14 2ju4 s ILE 67 Ca 0.00 -1.01 0.21 0.00 -1.10 0.00 0.00 60.65 58.75 2ju4 s ILE 67 Cb 0.00 -0.52 0.19 0.00 -1.06 0.00 0.00 42.46 41.07 2ju4 s ILE 67 CO 0.00 -0.39 1.71 -0.65 -0.10 0.00 0.00 174.94 175.51 2ju4 h PRO 69 N 4.58 0.00 0.00 2.79 0.11 -1.93 -3.47 132.00 134.08 2ju4 h PRO 69 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 2ju4 h PRO 69 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2ju4 h PRO 69 CO 0.41 0.29 0.00 0.91 -0.21 0.00 0.00 178.00 179.40 2ju4 n TRP 70 N -3.34 0.00 0.00 0.65 7.02 -1.26 -1.29 117.44 119.22 2ju4 n TRP 70 Ca 0.01 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.49 2ju4 n TRP 70 Cb 0.52 -0.19 0.00 0.00 -2.42 0.00 0.00 31.31 29.22 2ju4 n TRP 70 CO 0.00 0.00 0.00 0.39 -2.02 0.00 0.00 177.69 176.06 2ju4 n GLU 71 N -1.19 0.00 0.08 -0.99 1.02 -1.26 -4.97 120.64 113.33 2ju4 n GLU 71 Ca 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 57.00 2ju4 n GLU 71 Cb 0.00 -0.34 -0.07 0.00 -0.02 0.00 0.00 31.44 31.01 2ju4 n GLU 71 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2ju4 h ALA 72 N 0.00 0.30 -3.00 0.62 0.00 -1.91 -3.54 119.26 111.73 2ju4 h ALA 72 Ca 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 54.91 54.16 2ju4 h ALA 72 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2ju4 h ALA 72 CO 0.00 0.86 0.00 0.09 0.00 0.00 0.00 179.25 180.20 2ju4 n ASN 74 N -3.69 0.00 0.00 0.00 5.03 -0.41 -4.95 115.26 111.24 2ju4 n ASN 74 Ca -0.07 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.38 2ju4 n ASN 74 Cb 0.88 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.64 2ju4 n ASN 74 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2ju4 n HIS 75 N -0.13 0.00 0.00 3.10 1.44 -1.26 -3.97 115.22 114.39 2ju4 n HIS 75 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 2ju4 n HIS 75 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 2ju4 n HIS 75 CO 0.00 0.00 0.00 -1.91 -2.81 0.00 0.00 176.34 171.62 2ju4 n GLU 77 N 0.00 0.00 -1.85 -1.40 4.07 -1.26 -5.15 120.64 115.05 2ju4 n GLU 77 Ca 0.00 0.00 -0.30 0.00 -0.06 0.00 0.00 57.16 56.80 2ju4 n GLU 77 Cb 0.00 0.00 0.21 0.00 -0.06 0.00 0.00 31.44 31.59 2ju4 n GLU 77 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 2ju4 s LEU 78 N 0.00 2.53 -0.27 4.31 1.02 -1.26 -4.89 118.68 120.12 2ju4 s LEU 78 Ca 0.00 0.22 -0.06 0.00 0.02 0.00 0.00 54.13 54.31 2ju4 s LEU 78 Cb 0.00 -2.15 -0.14 0.00 0.02 0.00 0.00 46.19 43.92 2ju4 s LEU 78 CO 0.00 -3.02 3.29 1.41 0.02 0.00 0.00 176.35 178.05 2ju4 n HIS 79 N -3.95 0.71 1.00 0.29 8.25 -1.26 -4.30 115.22 115.96 2ju4 n HIS 79 Ca 0.16 -1.76 0.12 0.00 -0.26 0.00 0.00 57.72 55.98 2ju4 n HIS 79 Cb 0.59 -1.59 0.32 0.00 1.12 0.00 0.00 29.99 30.44 2ju4 n HIS 79 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 2ju4 n GLU 80 N 2.02 0.00 0.20 -0.41 4.07 -1.26 -3.67 120.64 121.59 2ju4 n GLU 80 Ca 0.47 0.00 0.07 0.00 -0.06 0.00 0.00 57.16 57.64 2ju4 n GLU 80 Cb 0.75 -1.50 0.36 0.00 -0.06 0.00 0.00 31.44 30.99 2ju4 n GLU 80 CO 0.00 0.00 0.00 1.37 -0.06 0.00 0.00 177.13 178.44 2ju4 h LEU 81 N 0.00 0.00 -6.30 4.31 -0.00 -1.95 -3.36 115.31 108.02 2ju4 h LEU 81 Ca 0.00 0.00 -0.51 0.00 -0.00 0.00 0.00 57.88 57.37 2ju4 h LEU 81 Cb 0.50 0.00 0.06 0.00 -0.00 0.00 0.00 40.66 41.22 2ju4 h LEU 81 CO 0.00 0.34 2.07 0.00 -0.00 0.00 0.00 178.44 180.84 2ju4 n ALA 82 N -2.28 2.93 -1.86 0.17 0.00 -1.24 -4.57 120.51 113.66 2ju4 n ALA 82 Ca -0.00 -2.57 0.00 0.00 0.00 0.00 0.00 53.44 50.87 2ju4 n ALA 82 Cb 0.49 -3.40 0.00 0.00 0.00 0.00 0.00 19.45 16.54 2ju4 n ALA 82 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2ju4 n GLN 83 N 6.37 0.00 -0.20 0.00 6.02 -1.26 -5.02 117.38 123.29 2ju4 n GLN 83 Ca 0.43 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.42 2ju4 n GLN 83 Cb 0.31 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.57 2ju4 n GLN 83 CO 0.00 0.00 0.00 2.48 -1.01 0.00 0.00 177.06 178.53 2ju4 n TYR 84 N 0.00 0.00 -2.53 1.08 4.11 -1.26 -4.93 117.16 113.62 2ju4 n TYR 84 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 57.90 57.91 2ju4 n TYR 84 Cb 0.00 0.19 0.05 0.00 -0.00 0.00 0.00 39.34 39.57 2ju4 n TYR 84 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 2ju4 n GLY 85 N 0.00 1.89 3.72 -7.48 0.00 -1.26 -5.31 105.19 96.75 2ju4 n GLY 85 Ca 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.96 2ju4 n GLY 85 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71