#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ju4 s ASN 2 N 0.00 6.52 0.07 3.17 -0.87 -1.26 -5.02 114.94 117.55 2ju4 s ASN 2 Ca 0.00 0.57 -0.26 0.00 -1.57 0.00 0.00 52.86 51.60 2ju4 s ASN 2 Cb 0.00 -2.33 0.09 0.00 -0.02 0.00 0.00 41.25 38.99 2ju4 s ASN 2 CO 0.00 -0.40 0.74 -1.48 -2.57 0.00 0.00 177.10 173.38 2ju4 s LEU 3 N 2.52 -0.49 0.13 0.60 2.34 -1.26 -5.18 118.68 117.34 2ju4 s LEU 3 Ca 0.25 0.07 0.06 0.00 0.06 0.00 0.00 54.13 54.57 2ju4 s LEU 3 Cb -0.15 2.34 -0.04 0.00 -0.56 0.00 0.00 46.19 47.78 2ju4 s LEU 3 CO 0.10 -0.78 -0.14 -1.83 -1.06 0.00 0.00 176.35 172.64 2ju4 s GLU 4 N -3.19 1.05 -0.66 1.48 -1.05 -1.26 -5.05 118.70 110.01 2ju4 s GLU 4 Ca 0.02 -1.29 -0.31 0.00 -0.15 0.00 0.00 54.97 53.24 2ju4 s GLU 4 Cb -0.01 -0.89 -0.17 0.00 -0.44 0.00 0.00 34.13 32.61 2ju4 s GLU 4 CO -0.09 0.16 2.08 -2.30 0.95 0.00 0.00 175.26 176.06 2ju4 n PRO 5 N 0.38 0.00 -2.77 -4.83 -0.02 -1.26 -4.86 135.00 121.64 2ju4 n PRO 5 Ca -0.14 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 60.92 2ju4 n PRO 5 Cb 0.58 -1.27 -0.04 0.00 -0.02 0.00 0.00 33.50 32.75 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 6.52 4.57 -0.67 0.52 0.04 -1.26 -5.01 135.00 139.71 2ju4 s PRO 6 Ca 1.09 1.34 -0.20 0.00 0.04 0.00 0.00 61.00 63.27 2ju4 s PRO 6 Cb -1.15 -3.44 0.11 0.00 0.04 0.00 0.00 34.50 30.06 2ju4 s PRO 6 CO 0.47 0.04 0.84 0.15 0.04 0.00 0.00 177.00 178.54 2ju4 s LYS 7 N 0.71 3.17 0.00 4.56 3.01 -1.26 -4.89 119.74 125.04 2ju4 s LYS 7 Ca 0.48 -1.32 0.00 0.00 -1.01 0.00 0.00 55.97 54.12 2ju4 s LYS 7 Cb -0.21 -4.36 0.00 0.00 -1.01 0.00 0.00 37.83 32.25 2ju4 s LYS 7 CO 0.27 -1.64 0.00 0.00 0.51 0.00 0.00 175.35 174.49 2ju4 n ALA 8 N 6.60 0.00 -3.00 5.17 0.00 -1.26 -4.96 120.51 123.06 2ju4 n ALA 8 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2ju4 n ALA 8 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 2ju4 n ALA 8 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2ju4 n GLU 9 N 0.00 0.00 -1.33 0.00 0.00 -1.26 -5.23 120.64 112.83 2ju4 n GLU 9 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 57.16 57.05 2ju4 n GLU 9 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 31.44 31.39 2ju4 n GLU 9 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 2ju4 n ARG 11 N 0.00 -1.38 -2.89 3.44 1.74 -1.26 -5.08 116.66 111.23 2ju4 n ARG 11 Ca 0.00 0.87 -0.19 0.00 -0.77 0.00 0.00 57.85 57.75 2ju4 n ARG 11 Cb 0.00 -5.11 0.04 0.00 -1.02 0.00 0.00 32.46 26.37 2ju4 n ARG 11 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2ju4 s SER 12 N -2.52 5.25 -1.49 0.55 0.15 -1.26 -4.46 113.70 109.92 2ju4 s SER 12 Ca 0.00 -0.46 -0.12 0.00 0.70 0.00 0.00 55.95 56.07 2ju4 s SER 12 Cb 0.00 -0.34 0.07 0.00 -1.71 0.00 0.00 66.02 64.04 2ju4 s SER 12 CO 0.00 -1.15 0.96 0.00 1.20 0.00 0.00 173.24 174.25 2ju4 n ALA 13 N -2.19 -1.38 -0.05 5.45 0.00 -1.26 -4.88 120.51 116.20 2ju4 n ALA 13 Ca 0.11 0.16 -0.22 0.00 0.00 0.00 0.00 53.44 53.50 2ju4 n ALA 13 Cb 0.60 -4.24 -0.13 0.00 0.00 0.00 0.00 19.45 15.69 2ju4 n ALA 13 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2ju4 n THR 14 N -4.66 1.65 0.00 0.00 -1.04 -1.26 -5.00 114.28 103.97 2ju4 n THR 14 Ca -0.00 -0.40 0.00 0.00 -2.04 0.00 0.00 64.05 61.60 2ju4 n THR 14 Cb 0.55 -1.83 0.00 0.00 -1.82 0.00 0.00 70.33 67.23 2ju4 n THR 14 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 2ju4 n ARG 15 N -3.86 0.00 -0.06 -2.82 0.63 -1.26 -5.15 116.66 104.13 2ju4 n ARG 15 Ca -0.35 0.00 0.01 0.00 -0.92 0.00 0.00 57.85 56.59 2ju4 n ARG 15 Cb 0.90 0.00 -0.00 0.00 0.45 0.00 0.00 32.46 33.81 2ju4 n ARG 15 CO 0.00 0.00 0.00 1.55 -2.51 0.00 0.00 177.63 176.67 2ju4 n VAL 16 N -1.88 0.00 -2.97 5.15 3.14 -1.26 -4.67 118.33 115.84 2ju4 n VAL 16 Ca 0.00 0.00 -0.19 0.00 -2.96 0.00 0.00 64.34 61.19 2ju4 n VAL 16 Cb 0.00 -0.02 0.00 0.00 -1.06 0.00 0.00 33.84 32.76 2ju4 n VAL 16 CO 0.00 0.00 0.00 0.23 -6.46 0.00 0.00 176.83 170.60 2ju4 n MET 17 N -0.49 -3.17 0.00 1.45 2.81 -1.26 -4.75 117.12 111.72 2ju4 n MET 17 Ca 0.00 0.58 0.00 0.00 -1.81 0.00 0.00 57.70 56.47 2ju4 n MET 17 Cb 0.03 -5.27 0.00 0.00 -0.71 0.00 0.00 33.22 27.27 2ju4 n MET 17 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2ju4 n GLY 18 N -1.08 -0.34 0.00 3.03 0.00 -1.26 -5.18 105.19 100.35 2ju4 n GLY 18 Ca -0.08 0.60 0.00 0.00 0.00 0.00 0.00 46.02 46.54 2ju4 n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ju4 n GLY 19 N 0.00 0.41 0.00 -0.02 0.00 -1.26 -5.06 105.19 99.26 2ju4 n GLY 19 Ca 0.00 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.58 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 -1.29 1.45 -3.65 1.61 -0.02 -1.26 -5.11 135.00 126.73 2ju4 n PRO 20 Ca 0.00 0.00 -0.22 0.00 -2.02 0.00 0.00 63.50 61.26 2ju4 n PRO 20 Cb 0.00 0.00 -0.18 0.00 -0.02 0.00 0.00 33.50 33.30 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 -0.18 -0.08 1.01 3.45 -1.32 -1.26 -5.17 115.64 112.10 2ju4 s THR 22 Ca 0.00 0.21 -0.20 0.00 -1.21 0.00 0.00 61.69 60.49 2ju4 s THR 22 Cb 0.00 -0.32 -0.08 0.00 -1.51 0.00 0.00 72.50 70.60 2ju4 s THR 22 CO 0.00 0.02 -0.63 -2.65 -2.21 0.00 0.00 174.62 169.15 2ju4 n PRO 23 N 5.28 -0.38 -1.92 7.08 -0.02 -1.26 -4.88 135.00 138.90 2ju4 n PRO 23 Ca -0.05 -0.10 -0.34 0.00 -2.02 0.00 0.00 63.50 60.99 2ju4 n PRO 23 Cb 0.50 -1.31 0.04 0.00 -0.02 0.00 0.00 33.50 32.71 2ju4 n PRO 23 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 2ju4 s ARG 24 N -2.61 2.91 -1.09 -0.52 6.06 -1.26 -4.90 118.95 117.54 2ju4 s ARG 24 Ca 0.45 1.60 -0.21 0.00 -2.50 0.00 0.00 55.73 55.08 2ju4 s ARG 24 Cb -0.09 -1.95 0.07 0.00 0.06 0.00 0.00 34.95 33.05 2ju4 s ARG 24 CO 0.72 -1.20 1.49 -1.59 -2.50 0.00 0.00 175.30 172.21 2ju4 s LYS 25 N -3.66 3.72 0.00 5.12 0.00 -1.26 -4.83 119.74 118.83 2ju4 s LYS 25 Ca 0.72 -1.49 0.00 0.00 0.00 0.00 0.00 55.97 55.20 2ju4 s LYS 25 Cb -0.25 -5.34 0.00 0.00 0.00 0.00 0.00 37.83 32.24 2ju4 s LYS 25 CO 0.36 -2.15 0.00 0.41 0.00 0.00 0.00 175.35 173.97 2ju4 n GLY 26 N 6.21 -2.35 3.31 0.59 0.00 -1.26 -5.12 105.19 106.57 2ju4 n GLY 26 Ca 0.36 -1.26 -0.34 0.00 0.00 0.00 0.00 46.02 44.78 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 -0.63 -0.16 -1.52 1.61 -0.02 -1.26 -4.76 135.00 128.26 2ju4 n PRO 27 Ca 0.00 -0.01 -0.58 0.00 -2.02 0.00 0.00 63.50 60.88 2ju4 n PRO 27 Cb 0.00 -1.63 -0.08 0.00 -0.02 0.00 0.00 33.50 31.77 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 -0.52 0.16 0.00 0.52 -0.02 -1.26 -4.96 135.00 128.91 2ju4 n PRO 28 Ca 0.05 0.06 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 2ju4 n PRO 28 Cb 0.54 -1.58 0.00 0.00 -0.02 0.00 0.00 33.50 32.44 2ju4 n PRO 28 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2ju4 n LYS 29 N 1.76 0.00 -1.61 -0.52 3.00 -1.26 -5.12 118.16 114.41 2ju4 n LYS 29 Ca 0.20 0.00 -0.12 0.00 -0.00 0.00 0.00 58.31 58.39 2ju4 n LYS 29 Cb 0.09 0.00 0.06 0.00 0.00 0.00 0.00 35.03 35.18 2ju4 n LYS 29 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2ju4 n LYS 31 N 0.00 0.20 0.00 1.64 4.01 -1.26 -4.93 118.16 117.83 2ju4 n LYS 31 Ca 0.00 -1.40 0.00 0.00 -0.51 0.00 0.00 58.31 56.40 2ju4 n LYS 31 Cb 0.00 -0.36 0.00 0.00 -0.51 0.00 0.00 35.03 34.16 2ju4 n LYS 31 CO 0.00 0.00 0.00 0.94 -1.11 0.00 0.00 177.40 177.23 2ju4 n GLN 32 N -1.98 0.00 -1.32 1.97 7.27 -1.26 -5.08 117.38 116.99 2ju4 n GLN 32 Ca 0.09 0.07 0.15 0.00 0.07 0.00 0.00 57.00 57.38 2ju4 n GLN 32 Cb 0.31 -0.39 -0.08 0.00 2.41 0.00 0.00 30.24 32.49 2ju4 n GLN 32 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 2ju4 n ARG 33 N -1.39 -2.83 0.00 3.69 1.74 -1.26 -5.01 116.66 111.60 2ju4 n ARG 33 Ca 0.00 2.31 0.00 0.00 -0.77 0.00 0.00 57.85 59.39 2ju4 n ARG 33 Cb 0.00 -3.40 0.00 0.00 -1.02 0.00 0.00 32.46 28.04 2ju4 n ARG 33 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 2ju4 n GLN 34 N -4.15 0.00 0.00 5.56 7.27 -1.26 -4.98 117.38 119.82 2ju4 n GLN 34 Ca -0.08 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.99 2ju4 n GLN 34 Cb 0.59 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.24 2ju4 n GLN 34 CO 0.00 0.00 0.00 2.41 0.07 0.00 0.00 177.06 179.54 2ju4 n THR 35 N -1.11 0.00 0.00 1.69 -1.04 -1.26 -3.82 114.28 108.74 2ju4 n THR 35 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2ju4 n THR 35 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 2ju4 n THR 35 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2ju4 n ARG 36 N -1.87 0.00 -0.60 -2.82 1.74 -1.26 -5.06 116.66 106.80 2ju4 n ARG 36 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2ju4 n ARG 36 Cb 0.00 -3.49 0.00 0.00 -1.02 0.00 0.00 32.46 27.95 2ju4 n ARG 36 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 2ju4 n GLN 37 N -1.06 0.00 -4.20 5.56 -0.06 -1.25 -5.23 117.38 111.14 2ju4 n GLN 37 Ca 0.00 0.00 -0.20 0.00 -2.00 0.00 0.00 57.00 54.80 2ju4 n GLN 37 Cb 0.00 0.00 -0.16 0.00 -4.06 0.00 0.00 30.24 26.02 2ju4 n GLN 37 CO 0.00 0.00 0.00 0.21 -0.20 0.00 0.00 177.06 177.07 2ju4 s LYS 39 N 0.00 0.88 0.38 3.69 2.47 -1.26 -5.12 119.74 120.79 2ju4 s LYS 39 Ca 0.00 -0.13 0.21 0.00 -1.56 0.00 0.00 55.97 54.49 2ju4 s LYS 39 Cb 0.00 -0.86 0.48 0.00 -1.46 0.00 0.00 37.83 35.99 2ju4 s LYS 39 CO 0.00 -0.07 1.64 0.77 0.16 0.00 0.00 175.35 177.85 2ju4 h SER 40 N 7.13 0.00 -1.90 1.43 0.02 -2.07 -3.39 113.55 114.77 2ju4 h SER 40 Ca -0.38 0.00 -0.42 0.00 -0.84 0.00 0.00 61.79 60.15 2ju4 h SER 40 Cb 1.16 0.00 -0.30 0.00 0.14 0.00 0.00 62.40 63.39 2ju4 h SER 40 CO 0.48 0.28 -0.77 -0.75 -1.14 0.00 0.00 176.83 174.92 2ju4 s LYS 41 N -3.29 0.87 0.43 3.45 2.36 -1.26 -5.14 119.74 117.17 2ju4 s LYS 41 Ca 0.03 -1.50 -0.12 0.00 -2.55 0.00 0.00 55.97 51.84 2ju4 s LYS 41 Cb 0.08 -0.87 -0.07 0.00 -1.05 0.00 0.00 37.83 35.92 2ju4 s LYS 41 CO 0.68 -1.32 0.81 -1.25 1.55 0.00 0.00 175.35 175.82 2ju4 s PRO 42 N 0.65 3.81 -0.09 4.03 0.04 -1.26 -5.03 135.00 137.14 2ju4 s PRO 42 Ca 0.28 0.56 -0.30 0.00 0.04 0.00 0.00 61.00 61.58 2ju4 s PRO 42 Cb -0.03 -2.34 -0.03 0.00 0.04 0.00 0.00 34.50 32.14 2ju4 s PRO 42 CO -0.11 -0.08 1.27 -1.25 0.04 0.00 0.00 177.00 176.87 2ju4 s PRO 43 N -3.90 4.29 0.00 0.56 0.04 -1.26 -4.57 135.00 130.15 2ju4 s PRO 43 Ca 0.53 1.73 0.00 0.00 0.04 0.00 0.00 61.00 63.30 2ju4 s PRO 43 Cb -0.10 -3.66 0.00 0.00 0.04 0.00 0.00 34.50 30.78 2ju4 s PRO 43 CO 0.32 -0.58 0.00 0.36 0.04 0.00 0.00 177.00 177.13 2ju4 n LYS 44 N 5.87 0.00 -1.41 4.56 2.85 -1.26 -5.02 118.16 123.74 2ju4 n LYS 44 Ca 0.13 0.00 -0.54 0.00 -1.05 0.00 0.00 58.31 56.85 2ju4 n LYS 44 Cb 0.45 0.00 -0.08 0.00 -0.65 0.00 0.00 35.03 34.75 2ju4 n LYS 44 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 2ju4 n LYS 45 N -0.29 0.77 0.00 -1.58 4.76 -1.26 -4.09 118.16 116.47 2ju4 n LYS 45 Ca 0.00 0.22 0.00 0.00 -2.87 0.00 0.00 58.31 55.66 2ju4 n LYS 45 Cb 0.00 -2.16 0.00 0.00 -1.84 0.00 0.00 35.03 31.03 2ju4 n LYS 45 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2ju4 n GLY 46 N 6.65 0.00 5.14 0.72 0.00 -1.26 -5.00 105.19 111.44 2ju4 n GLY 46 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.46 2ju4 n GLY 46 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2ju4 n VAL 47 N 0.00 0.00 -1.54 1.61 0.31 -1.26 -4.64 118.33 112.82 2ju4 n VAL 47 Ca 0.00 0.00 -0.40 0.00 -0.01 0.00 0.00 64.34 63.93 2ju4 n VAL 47 Cb 0.00 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 32.88 2ju4 n VAL 47 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 2ju4 n GLN 48 N 0.00 1.03 0.00 5.55 -0.06 -1.26 -5.14 117.38 117.50 2ju4 n GLN 48 Ca 0.00 0.11 0.00 0.00 -2.00 0.00 0.00 57.00 55.11 2ju4 n GLN 48 Cb 0.00 -3.00 0.00 0.00 -4.06 0.00 0.00 30.24 23.18 2ju4 n GLN 48 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2ju4 n GLY 49 N 6.12 1.04 0.00 1.69 0.00 -1.26 -4.94 105.19 107.83 2ju4 n GLY 49 Ca 0.41 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 46.10 2ju4 n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ju4 n GLY 51 N -0.05 -0.47 0.72 -0.02 0.00 -1.26 -5.09 105.19 99.02 2ju4 n GLY 51 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.12 2ju4 n GLY 51 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2ju4 n ASP 52 N -0.67 0.00 -2.68 1.61 5.75 -1.26 -5.05 116.55 114.25 2ju4 n ASP 52 Ca 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 54.79 54.72 2ju4 n ASP 52 Cb 0.00 0.08 0.11 0.00 -1.03 0.00 0.00 41.12 40.28 2ju4 n ASP 52 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 2ju4 n ASP 53 N -1.54 -1.77 -4.08 -1.12 5.68 -1.26 -5.08 116.55 107.38 2ju4 n ASP 53 Ca 0.00 -2.34 -0.34 0.00 -0.50 0.00 0.00 54.79 51.61 2ju4 n ASP 53 Cb 0.00 0.97 -0.13 0.00 -1.14 0.00 0.00 41.12 40.82 2ju4 n ASP 53 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 2ju4 s ILE 54 N 0.17 2.81 -1.51 2.12 1.01 -1.26 -5.01 121.20 119.53 2ju4 s ILE 54 Ca 0.19 -2.11 -0.11 0.00 0.00 0.00 0.00 60.65 58.61 2ju4 s ILE 54 Cb 0.37 -2.95 -0.00 0.00 0.01 0.00 0.00 42.46 39.89 2ju4 s ILE 54 CO -0.09 -0.59 2.57 -0.81 0.00 0.00 0.00 174.94 176.03 2ju4 n PRO 55 N 4.45 3.49 -1.71 2.79 -0.04 -1.26 -4.61 135.00 138.12 2ju4 n PRO 55 Ca -0.01 -2.57 -0.01 0.00 -0.04 0.00 0.00 63.50 60.88 2ju4 n PRO 55 Cb 0.42 -2.96 0.00 0.00 -0.04 0.00 0.00 33.50 30.92 2ju4 n PRO 55 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2ju4 n GLY 56 N 3.51 -2.18 0.23 0.55 0.00 -1.26 -4.91 105.19 101.14 2ju4 n GLY 56 Ca 0.65 -0.04 0.04 0.00 0.00 0.00 0.00 46.02 46.67 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 0.43 0.08 0.00 1.61 4.05 -2.01 -3.46 114.93 115.63 2ju4 h MET 57 Ca 0.00 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.40 2ju4 h MET 57 Cb 0.06 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 30.85 2ju4 h MET 57 CO 0.02 0.26 0.00 0.39 0.23 0.00 0.00 176.91 177.81 2ju4 n GLU 58 N -4.29 0.00 -1.54 0.39 -0.58 -1.26 -5.24 120.64 108.12 2ju4 n GLU 58 Ca -0.02 0.00 -0.48 0.00 -0.42 0.00 0.00 57.16 56.25 2ju4 n GLU 58 Cb 0.26 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 31.10 2ju4 n GLU 58 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2ju4 n GLY 59 N 0.00 -0.51 1.28 0.62 0.00 -1.26 -4.79 105.19 100.53 2ju4 n GLY 59 Ca 0.00 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.44 2ju4 n GLY 59 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ju4 n GLY 61 N 1.68 1.26 0.13 -0.02 0.00 -1.26 -5.18 105.19 101.81 2ju4 n GLY 61 Ca 0.14 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.28 2ju4 n GLY 61 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2ju4 n THR 62 N 1.11 0.80 0.21 2.61 -2.24 -1.26 -2.32 114.28 113.19 2ju4 n THR 62 Ca 0.00 0.17 0.07 0.00 -2.27 0.00 0.00 64.05 62.02 2ju4 n THR 62 Cb 0.27 -1.11 0.37 0.00 -2.10 0.00 0.00 70.33 67.75 2ju4 n THR 62 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 2ju4 h ASP 63 N 0.00 0.00 0.00 3.42 3.58 -1.99 -3.10 116.42 118.33 2ju4 h ASP 63 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2ju4 h ASP 63 Cb 0.41 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.46 2ju4 h ASP 63 CO 0.00 0.00 -0.12 -0.38 -2.88 0.00 0.00 179.24 175.86 2ju4 n ILE 64 N -2.20 0.00 0.00 2.25 2.08 -1.13 -4.73 119.36 115.63 2ju4 n ILE 64 Ca -0.01 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.30 2ju4 n ILE 64 Cb 0.45 -0.16 0.00 0.00 -0.75 0.00 0.00 39.64 39.18 2ju4 n ILE 64 CO 0.00 0.00 0.00 0.41 0.56 0.00 0.00 176.55 177.52 2ju4 n THR 65 N -1.79 0.00 0.00 1.39 -1.04 -0.98 -4.31 114.28 107.55 2ju4 n THR 65 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2ju4 n THR 65 Cb 0.06 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.57 2ju4 n THR 65 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 2ju4 n VAL 66 N 0.00 0.00 -4.41 12.58 0.24 -1.26 -5.03 118.33 120.45 2ju4 n VAL 66 Ca 0.00 0.97 -0.23 0.00 -2.04 0.00 0.00 64.34 63.03 2ju4 n VAL 66 Cb 0.00 -1.59 -0.08 0.00 -1.47 0.00 0.00 33.84 30.70 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 -0.93 0.24 -0.01 1.34 1.01 -1.26 -5.15 121.20 116.45 2ju4 s ILE 67 Ca 0.00 -2.00 -0.02 0.00 0.00 0.00 0.00 60.65 58.63 2ju4 s ILE 67 Cb 0.00 -2.38 -0.27 0.00 0.01 0.00 0.00 42.46 39.82 2ju4 s ILE 67 CO 0.00 0.00 0.82 -0.65 0.00 0.00 0.00 174.94 175.11 2ju4 h PRO 69 N 1.90 0.22 -1.49 2.79 0.11 -2.00 -3.47 132.00 130.07 2ju4 h PRO 69 Ca -0.29 -0.38 0.00 0.00 0.11 0.00 0.00 66.00 65.44 2ju4 h PRO 69 Cb 1.25 0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.51 2ju4 h PRO 69 CO 0.44 1.07 0.00 0.91 -0.21 0.00 0.00 178.00 180.21 2ju4 n TRP 70 N -3.42 0.00 -0.04 0.65 8.01 -1.26 -2.55 117.44 118.83 2ju4 n TRP 70 Ca -0.17 -0.50 0.00 0.00 -1.31 0.00 0.00 57.50 55.51 2ju4 n TRP 70 Cb 1.04 -0.29 0.00 0.00 -2.01 0.00 0.00 31.31 30.05 2ju4 n TRP 70 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.69 177.07 2ju4 n GLU 71 N 0.95 2.95 -2.52 -0.99 -0.58 -1.26 -5.17 120.64 114.01 2ju4 n GLU 71 Ca 0.00 0.00 -0.41 0.00 -0.42 0.00 0.00 57.16 56.33 2ju4 n GLU 71 Cb 0.38 -0.25 -0.04 0.00 -0.57 0.00 0.00 31.44 30.97 2ju4 n GLU 71 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2ju4 s ALA 72 N 0.00 3.34 0.00 0.62 0.00 -1.06 -4.95 121.76 119.72 2ju4 s ALA 72 Ca 0.00 0.78 0.00 0.00 0.00 0.00 0.00 51.96 52.74 2ju4 s ALA 72 Cb 0.00 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.74 2ju4 s ALA 72 CO 0.00 -0.28 0.00 -1.71 0.00 0.00 0.00 175.76 173.77 2ju4 n ASN 74 N 3.14 0.00 -3.23 0.00 4.05 -1.26 -5.17 115.26 112.78 2ju4 n ASN 74 Ca 0.05 0.00 -0.14 0.00 0.45 0.00 0.00 54.58 54.95 2ju4 n ASN 74 Cb 0.47 0.00 -0.02 0.00 1.23 0.00 0.00 39.78 41.46 2ju4 n ASN 74 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2ju4 n HIS 75 N 0.00 -0.03 0.00 1.20 1.44 -1.26 -5.18 115.22 111.40 2ju4 n HIS 75 Ca 0.00 -1.10 0.00 0.00 -2.01 0.00 0.00 57.72 54.61 2ju4 n HIS 75 Cb 0.00 -0.17 0.00 0.00 0.12 0.00 0.00 29.99 29.94 2ju4 n HIS 75 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 2ju4 n GLU 77 N -0.75 0.00 0.10 -1.40 -0.58 -1.26 -4.35 120.64 112.41 2ju4 n GLU 77 Ca -0.07 0.00 0.13 0.00 -0.42 0.00 0.00 57.16 56.80 2ju4 n GLU 77 Cb 0.29 0.00 0.40 0.00 -0.57 0.00 0.00 31.44 31.56 2ju4 n GLU 77 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2ju4 n LEU 78 N 0.00 0.78 0.00 -4.62 4.32 -1.26 -4.90 117.00 111.32 2ju4 n LEU 78 Ca 0.00 0.56 0.00 0.00 -0.02 0.00 0.00 56.01 56.55 2ju4 n LEU 78 Cb 0.00 -0.32 0.00 0.00 -1.62 0.00 0.00 43.42 41.48 2ju4 n LEU 78 CO 0.00 -0.17 0.00 1.57 -1.22 0.00 0.00 177.39 177.57 2ju4 n HIS 79 N -2.23 0.00 0.00 -1.77 -0.00 -1.26 -4.24 115.22 105.71 2ju4 n HIS 79 Ca 0.06 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.24 2ju4 n HIS 79 Cb 0.43 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.30 2ju4 n HIS 79 CO 0.00 0.00 0.00 -0.85 0.46 0.00 0.00 176.34 175.95 2ju4 n GLU 80 N 0.00 0.00 0.14 1.57 0.28 -1.26 0.24 120.64 121.61 2ju4 n GLU 80 Ca 0.00 0.43 0.10 0.00 -0.16 0.00 0.00 57.16 57.53 2ju4 n GLU 80 Cb 0.00 -1.56 0.05 0.00 1.43 0.00 0.00 31.44 31.36 2ju4 n GLU 80 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 177.13 176.90 2ju4 h LEU 81 N 0.00 0.00 -9.50 -1.84 -0.00 -1.92 -3.47 115.31 98.58 2ju4 h LEU 81 Ca 0.00 0.00 -0.47 0.00 -0.00 0.00 0.00 57.88 57.41 2ju4 h LEU 81 Cb 0.12 0.00 0.24 0.00 -0.00 0.00 0.00 40.66 41.02 2ju4 h LEU 81 CO 0.00 0.06 -1.47 0.00 -0.00 0.00 0.00 178.44 177.03 2ju4 n ALA 82 N -2.17 -4.49 0.00 1.53 0.00 0.14 -4.94 120.51 110.58 2ju4 n ALA 82 Ca 0.01 -1.24 0.00 0.00 0.00 0.00 0.00 53.44 52.21 2ju4 n ALA 82 Cb 0.57 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.67 2ju4 n ALA 82 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2ju4 n GLN 83 N -0.80 0.13 -0.12 0.00 7.27 -1.26 -4.75 117.38 117.85 2ju4 n GLN 83 Ca 0.00 0.00 0.27 0.00 0.07 0.00 0.00 57.00 57.35 2ju4 n GLN 83 Cb 0.65 -0.19 0.68 0.00 2.41 0.00 0.00 30.24 33.78 2ju4 n GLN 83 CO 0.00 0.00 0.00 1.88 0.07 0.00 0.00 177.06 179.01 2ju4 h TYR 84 N 0.00 0.00 0.00 3.69 -1.99 -1.98 -3.38 116.97 113.30 2ju4 h TYR 84 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 2ju4 h TYR 84 Cb 0.00 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.73 2ju4 h TYR 84 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 178.16 178.57 2ju4 n GLY 85 N -1.64 0.00 3.76 3.88 0.00 -1.26 -5.31 105.19 104.62 2ju4 n GLY 85 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2ju4 n GLY 85 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71