#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2je4 s GLN 2 N 0.00 3.43 -0.24 0.54 0.74 -1.26 -5.10 119.66 117.77 2je4 s GLN 2 Ca 0.00 -0.65 -0.02 0.00 0.05 0.00 0.00 55.36 54.75 2je4 s GLN 2 Cb 0.00 -2.74 0.02 0.00 1.10 0.00 0.00 33.01 31.39 2je4 s GLN 2 CO 0.00 0.15 -0.07 0.42 -0.55 0.00 0.00 175.29 175.24 2je4 s ILE 3 N 0.54 2.87 0.85 -2.34 1.01 -1.26 -5.11 121.20 117.75 2je4 s ILE 3 Ca -0.07 -0.96 -0.13 0.00 0.00 0.00 0.00 60.65 59.49 2je4 s ILE 3 Cb -0.15 -2.42 0.11 0.00 0.01 0.00 0.00 42.46 40.00 2je4 s ILE 3 CO 0.03 0.25 1.21 0.42 0.00 0.00 0.00 174.94 176.85 2je4 s THR 4 N 1.34 2.00 -0.12 2.92 -4.23 -1.26 -5.02 115.64 111.26 2je4 s THR 4 Ca 0.01 0.00 0.17 0.00 -1.18 0.00 0.00 61.69 60.69 2je4 s THR 4 Cb -0.16 -2.99 0.27 0.00 1.34 0.00 0.00 72.50 70.96 2je4 s THR 4 CO -0.05 0.00 1.14 0.18 -0.54 0.00 0.00 174.62 175.35 2je4 n LEU 5 N -3.44 2.15 -0.05 4.79 4.77 -1.26 -4.64 117.00 119.31 2je4 n LEU 5 Ca 0.09 -2.94 0.03 0.00 -0.03 0.00 0.00 56.01 53.16 2je4 n LEU 5 Cb 0.61 -0.39 0.37 0.00 -2.33 0.00 0.00 43.42 41.68 2je4 n LEU 5 CO 0.55 0.71 1.17 -0.50 -1.33 0.00 0.00 177.39 177.98 2je4 h TRP 6 N 0.07 0.62 -2.35 -1.77 4.06 -2.06 -3.43 115.95 111.09 2je4 h TRP 6 Ca -0.00 0.01 -0.54 0.00 2.06 0.00 0.00 58.89 60.42 2je4 h TRP 6 Cb 1.04 -0.21 -0.13 0.00 -1.00 0.00 0.00 29.16 28.86 2je4 h TRP 6 CO 0.06 0.40 -0.61 -1.59 -3.56 0.00 0.00 178.44 173.15 2je4 s LYS 7 N -5.54 1.78 0.29 0.49 -2.85 -1.26 -5.11 119.74 107.53 2je4 s LYS 7 Ca -0.09 -1.99 -0.30 0.00 -1.00 0.00 0.00 55.97 52.59 2je4 s LYS 7 Cb 0.17 -1.19 -0.13 0.00 -2.06 0.00 0.00 37.83 34.62 2je4 s LYS 7 CO 0.75 -0.13 1.38 0.54 0.10 0.00 0.00 175.35 177.99 2je4 n ARG 8 N -0.80 2.15 -2.05 1.78 1.74 -1.26 -4.82 116.66 113.39 2je4 n ARG 8 Ca -0.03 0.76 -0.42 0.00 -0.77 0.00 0.00 57.85 57.38 2je4 n ARG 8 Cb 0.67 -2.40 0.00 0.00 -1.02 0.00 0.00 32.46 29.71 2je4 n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2je4 n PRO 9 N 1.45 3.12 -2.98 5.56 -0.04 -1.26 -4.93 135.00 135.93 2je4 n PRO 9 Ca 0.08 -2.99 -0.40 0.00 -0.04 0.00 0.00 63.50 60.15 2je4 n PRO 9 Cb 0.34 -3.20 -0.04 0.00 -0.04 0.00 0.00 33.50 30.55 2je4 n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2je4 s LEU 10 N 1.78 4.31 0.22 1.53 1.43 -1.26 -1.28 118.68 125.41 2je4 s LEU 10 Ca 0.46 1.26 0.02 0.00 -1.03 0.00 0.00 54.13 54.83 2je4 s LEU 10 Cb 0.11 -3.17 -0.05 0.00 0.03 0.00 0.00 46.19 43.11 2je4 s LEU 10 CO -0.04 -0.16 0.05 0.68 0.23 0.00 0.00 176.35 177.10 2je4 s VAL 11 N 0.96 0.65 -0.03 -1.59 -7.23 0.08 -4.92 120.40 108.33 2je4 s VAL 11 Ca 0.40 -1.99 -0.27 0.00 -1.81 0.00 0.00 61.98 58.30 2je4 s VAL 11 Cb -0.18 -2.39 -0.03 0.00 0.56 0.00 0.00 36.38 34.34 2je4 s VAL 11 CO 0.19 -0.23 0.85 -0.89 -0.31 0.00 0.00 175.10 174.71 2je4 s THR 12 N -3.68 4.95 0.30 5.32 2.01 -1.26 -0.86 115.64 122.41 2je4 s THR 12 Ca 0.31 1.78 0.09 0.00 0.31 0.00 0.00 61.69 64.19 2je4 s THR 12 Cb 0.07 -4.19 -0.06 0.00 0.01 0.00 0.00 72.50 68.33 2je4 s THR 12 CO 0.09 0.20 -0.12 0.27 -0.69 0.00 0.00 174.62 174.37 2je4 s ILE 13 N 0.93 2.13 -0.12 1.82 -4.36 0.93 -4.57 121.20 117.96 2je4 s ILE 13 Ca 0.45 -2.25 0.02 0.00 -0.26 0.00 0.00 60.65 58.62 2je4 s ILE 13 Cb -0.19 -2.45 0.01 0.00 1.25 0.00 0.00 42.46 41.08 2je4 s ILE 13 CO 0.23 -0.32 -0.19 -0.60 0.24 0.00 0.00 174.94 174.31 2je4 s ARG 14 N -3.61 2.67 -0.12 0.37 3.52 0.12 -0.66 118.95 121.24 2je4 s ARG 14 Ca 0.30 -0.73 -0.05 0.00 -0.13 0.00 0.00 55.73 55.12 2je4 s ARG 14 Cb 0.00 -2.19 0.05 0.00 -1.56 0.00 0.00 34.95 31.25 2je4 s ARG 14 CO 0.14 -0.03 0.27 -1.50 -0.81 0.00 0.00 175.30 173.37 2je4 s ILE 15 N 0.87 -0.16 -1.51 4.11 2.07 -0.34 -1.10 121.20 125.14 2je4 s ILE 15 Ca -0.07 0.18 0.00 0.00 -1.41 0.00 0.00 60.65 59.35 2je4 s ILE 15 Cb -0.15 -0.42 0.00 0.00 0.13 0.00 0.00 42.46 42.02 2je4 s ILE 15 CO -0.01 0.08 0.00 0.61 -1.91 0.00 0.00 174.94 173.70 2je4 n GLY 16 N 4.58 0.87 1.00 1.50 0.00 -1.26 -1.70 105.19 110.19 2je4 n GLY 16 Ca -0.19 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.55 2je4 n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2je4 n GLY 17 N -1.06 0.97 3.83 -0.02 0.00 -1.26 -5.04 105.19 102.60 2je4 n GLY 17 Ca -0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.49 2je4 n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2je4 s GLN 18 N -0.67 3.31 0.05 1.61 -1.52 -0.69 -5.05 119.66 116.71 2je4 s GLN 18 Ca 0.00 -0.22 -0.23 0.00 -1.95 0.00 0.00 55.36 52.97 2je4 s GLN 18 Cb 0.00 -3.08 -0.06 0.00 -0.22 0.00 0.00 33.01 29.65 2je4 s GLN 18 CO 0.00 0.75 0.69 -0.51 -0.25 0.00 0.00 175.29 175.97 2je4 s LEU 19 N -1.03 4.47 0.15 2.90 1.43 -1.26 -1.19 118.68 124.15 2je4 s LEU 19 Ca 0.15 1.37 -0.01 0.00 -1.03 0.00 0.00 54.13 54.60 2je4 s LEU 19 Cb -0.12 -3.10 -0.04 0.00 0.03 0.00 0.00 46.19 42.96 2je4 s LEU 19 CO 0.04 0.11 0.09 -0.54 0.23 0.00 0.00 176.35 176.28 2je4 s LYS 20 N -0.43 1.02 -0.17 1.70 1.02 0.16 -4.97 119.74 118.07 2je4 s LYS 20 Ca 0.34 -1.48 -0.11 0.00 0.02 0.00 0.00 55.97 54.75 2je4 s LYS 20 Cb -0.20 0.26 -0.05 0.00 -0.52 0.00 0.00 37.83 37.32 2je4 s LYS 20 CO 0.21 -0.31 0.18 -2.00 -0.92 0.00 0.00 175.35 172.51 2je4 s GLU 21 N -4.08 4.09 0.04 1.68 2.12 -1.26 -0.05 118.70 121.24 2je4 s GLU 21 Ca 0.28 -0.12 -0.05 0.00 0.36 0.00 0.00 54.97 55.45 2je4 s GLU 21 Cb 0.07 -3.38 -0.01 0.00 0.26 0.00 0.00 34.13 31.06 2je4 s GLU 21 CO 0.05 0.37 0.07 0.00 -0.54 0.00 0.00 175.26 175.21 2je4 s ALA 22 N 0.15 0.01 -0.13 6.30 0.00 -0.04 -4.38 121.76 123.67 2je4 s ALA 22 Ca 0.11 -0.63 -0.19 0.00 0.00 0.00 0.00 51.96 51.25 2je4 s ALA 22 Cb -0.12 0.25 -0.04 0.00 0.00 0.00 0.00 23.12 23.21 2je4 s ALA 22 CO 0.01 -0.32 0.51 -1.17 0.00 0.00 0.00 175.76 174.79 2je4 s LEU 23 N -2.18 4.25 -0.41 0.00 2.96 0.53 -0.74 118.68 123.09 2je4 s LEU 23 Ca -0.04 0.83 -0.28 0.00 -0.22 0.00 0.00 54.13 54.41 2je4 s LEU 23 Cb -0.01 -2.74 0.02 0.00 0.50 0.00 0.00 46.19 43.96 2je4 s LEU 23 CO -0.05 -0.05 1.07 -0.76 -1.32 0.00 0.00 176.35 175.24 2je4 s LEU 24 N 0.87 3.81 -0.35 -0.68 1.43 -0.41 -0.43 118.68 122.92 2je4 s LEU 24 Ca 0.27 0.65 0.03 0.00 -1.03 0.00 0.00 54.13 54.05 2je4 s LEU 24 Cb -0.15 -3.48 0.10 0.00 0.03 0.00 0.00 46.19 42.69 2je4 s LEU 24 CO 0.11 -1.06 0.08 -0.62 0.23 0.00 0.00 176.35 175.09 2je4 s ASP 25 N 2.10 4.55 0.35 2.29 2.15 -0.08 -4.80 116.67 123.22 2je4 s ASP 25 Ca 0.45 -2.14 0.27 0.00 0.43 0.00 0.00 52.55 51.55 2je4 s ASP 25 Cb -0.10 -1.46 1.10 0.00 -0.30 0.00 0.00 42.92 42.16 2je4 s ASP 25 CO 0.24 -0.37 1.80 0.71 -0.17 0.00 0.00 175.17 177.38 2je4 h THR 26 N 6.45 0.00 -0.12 1.71 1.35 -1.94 -2.50 112.91 117.86 2je4 h THR 26 Ca -0.06 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.48 2je4 h THR 26 Cb 1.00 1.14 0.00 0.00 -1.73 0.00 0.00 68.15 68.57 2je4 h THR 26 CO 0.52 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.40 2je4 n GLY 27 N 0.03 -0.13 3.42 5.82 0.00 -1.26 -4.85 105.19 108.23 2je4 n GLY 27 Ca 0.02 -0.31 -0.35 0.00 0.00 0.00 0.00 46.02 45.38 2je4 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2je4 s ALA 28 N -1.85 2.95 0.24 4.61 0.00 -0.94 -4.98 121.76 121.79 2je4 s ALA 28 Ca 0.30 -0.99 0.01 0.00 0.00 0.00 0.00 51.96 51.27 2je4 s ALA 28 Cb 0.15 -1.68 0.29 0.00 0.00 0.00 0.00 23.12 21.88 2je4 s ALA 28 CO 0.24 -0.12 1.62 -0.44 0.00 0.00 0.00 175.76 177.05 2je4 h ASP 29 N 7.45 0.47 -2.76 0.00 3.32 -1.88 0.59 116.42 123.61 2je4 h ASP 29 Ca -0.35 -0.21 -0.52 0.00 0.02 0.00 0.00 57.03 55.97 2je4 h ASP 29 Cb 1.18 -0.13 -0.14 0.00 0.22 0.00 0.00 39.33 40.46 2je4 h ASP 29 CO 0.61 0.84 -0.67 -1.81 -1.72 0.00 0.00 179.24 176.48 2je4 s ASP 30 N -6.87 2.93 -0.22 6.45 1.01 -1.26 -3.18 116.67 115.53 2je4 s ASP 30 Ca -0.06 -1.19 -0.09 0.00 0.71 0.00 0.00 52.55 51.91 2je4 s ASP 30 Cb 0.13 -0.20 -0.05 0.00 1.01 0.00 0.00 42.92 43.81 2je4 s ASP 30 CO 0.81 -0.32 0.12 -0.89 0.21 0.00 0.00 175.17 175.10 2je4 s THR 31 N -2.94 5.09 -0.15 -1.27 2.01 -1.26 -3.22 115.64 113.88 2je4 s THR 31 Ca 0.30 0.08 0.00 0.00 0.31 0.00 0.00 61.69 62.38 2je4 s THR 31 Cb 0.04 -3.35 0.03 0.00 0.01 0.00 0.00 72.50 69.22 2je4 s THR 31 CO 0.13 0.38 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.63 2je4 s VAL 32 N 0.91 1.45 -0.02 3.82 1.01 -0.51 -0.69 120.40 126.38 2je4 s VAL 32 Ca 0.06 -0.65 0.04 0.00 0.00 0.00 0.00 61.98 61.43 2je4 s VAL 32 Cb -0.13 -1.44 -0.01 0.00 0.00 0.00 0.00 36.38 34.80 2je4 s VAL 32 CO 0.03 0.36 -0.14 -0.63 0.00 0.00 0.00 175.10 174.72 2je4 s ILE 33 N 1.52 1.11 -0.89 2.22 1.01 0.65 -0.44 121.20 126.38 2je4 s ILE 33 Ca 0.03 -0.58 -0.19 0.00 0.00 0.00 0.00 60.65 59.92 2je4 s ILE 33 Cb -0.14 -0.94 0.13 0.00 0.01 0.00 0.00 42.46 41.53 2je4 s ILE 33 CO -0.10 0.32 1.07 -0.70 0.00 0.00 0.00 174.94 175.54 2je4 s GLU 34 N -0.17 3.55 0.13 2.79 2.12 -1.26 -2.88 118.70 122.99 2je4 s GLU 34 Ca 0.02 -1.75 0.01 0.00 0.36 0.00 0.00 54.97 53.62 2je4 s GLU 34 Cb -0.07 -4.81 -0.04 0.00 0.26 0.00 0.00 34.13 29.47 2je4 s GLU 34 CO 0.00 -1.73 -0.03 -2.00 -0.54 0.00 0.00 175.26 170.97 2je4 s GLU 35 N 2.56 0.96 0.00 4.30 2.56 -1.26 -5.01 118.70 122.81 2je4 s GLU 35 Ca 0.30 -1.43 0.00 0.00 0.00 0.00 0.00 54.97 53.84 2je4 s GLU 35 Cb -0.07 -0.19 0.00 0.00 2.00 0.00 0.00 34.13 35.88 2je4 s GLU 35 CO -0.08 -0.09 0.00 0.09 -0.56 0.00 0.00 175.26 174.62 2je4 n ASN 37 N -0.13 0.00 -4.77 -1.70 3.02 -1.26 -4.95 115.26 105.47 2je4 n ASN 37 Ca -0.09 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.10 2je4 n ASN 37 Cb 0.62 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.79 2je4 n ASN 37 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2je4 s LEU 38 N 0.00 3.86 0.88 3.41 1.43 -1.26 -5.04 118.68 121.96 2je4 s LEU 38 Ca 0.00 2.27 -0.13 0.00 -1.03 0.00 0.00 54.13 55.24 2je4 s LEU 38 Cb 0.00 -4.42 0.13 0.00 0.03 0.00 0.00 46.19 41.92 2je4 s LEU 38 CO 0.00 -1.13 1.19 -2.16 0.23 0.00 0.00 176.35 174.48 2je4 s PRO 39 N -3.02 1.35 0.00 1.29 0.04 -1.26 -5.00 135.00 128.41 2je4 s PRO 39 Ca 0.69 0.07 0.00 0.00 0.04 0.00 0.00 61.00 61.80 2je4 s PRO 39 Cb -0.27 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.39 2je4 s PRO 39 CO 0.31 -2.01 0.00 0.41 0.04 0.00 0.00 177.00 175.75 2je4 n GLY 40 N -2.95 2.61 3.80 0.56 0.00 -1.26 -5.02 105.19 102.93 2je4 n GLY 40 Ca 0.09 -1.95 -0.35 0.00 0.00 0.00 0.00 46.02 43.81 2je4 n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2je4 s LYS 41 N -2.88 4.32 0.16 1.61 1.02 -1.26 -5.05 119.74 117.66 2je4 s LYS 41 Ca 0.00 1.24 -0.07 0.00 0.02 0.00 0.00 55.97 57.15 2je4 s LYS 41 Cb 0.00 -2.42 -0.01 0.00 -0.52 0.00 0.00 37.83 34.88 2je4 s LYS 41 CO 0.00 0.05 0.24 1.67 -0.92 0.00 0.00 175.35 176.39 2je4 s TRP 42 N -1.93 0.50 0.07 3.18 1.48 -1.26 -4.59 118.94 116.39 2je4 s TRP 42 Ca 0.58 -0.86 0.05 0.00 -1.06 0.00 0.00 56.10 54.81 2je4 s TRP 42 Cb -0.14 -0.14 -0.03 0.00 -1.16 0.00 0.00 33.47 32.00 2je4 s TRP 42 CO 0.18 -0.69 -0.15 -1.59 -4.06 0.00 0.00 176.95 170.65 2je4 s LYS 43 N -3.99 0.84 0.49 3.25 -2.85 -0.69 -4.90 119.74 111.89 2je4 s LYS 43 Ca 0.19 -0.97 -0.21 0.00 -1.00 0.00 0.00 55.97 53.98 2je4 s LYS 43 Cb 0.04 -0.87 -0.07 0.00 -2.06 0.00 0.00 37.83 34.87 2je4 s LYS 43 CO 0.01 0.19 1.12 -1.25 0.10 0.00 0.00 175.35 175.53 2je4 s PRO 44 N -1.75 3.64 0.00 1.78 0.04 -1.26 -0.43 135.00 137.02 2je4 s PRO 44 Ca -0.01 1.63 0.00 0.00 0.04 0.00 0.00 61.00 62.66 2je4 s PRO 44 Cb -0.10 -2.22 0.00 0.00 0.04 0.00 0.00 34.50 32.22 2je4 s PRO 44 CO 0.02 -0.62 0.00 1.17 0.04 0.00 0.00 177.00 177.62 2je4 n LYS 45 N -0.84 0.00 0.00 4.56 4.81 -0.63 -4.86 118.16 121.21 2je4 n LYS 45 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.53 2je4 n LYS 45 Cb 0.50 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.55 2je4 n LYS 45 CO 0.00 0.00 0.00 0.44 1.17 0.00 0.00 177.40 179.01 2je4 n ILE 47 N 0.00 0.00 -4.44 3.15 -5.35 -0.63 -0.89 119.36 111.20 2je4 n ILE 47 Ca 0.00 0.00 -0.22 0.00 -0.27 0.00 0.00 62.75 62.26 2je4 n ILE 47 Cb 0.00 0.00 -0.10 0.00 -1.74 0.00 0.00 39.64 37.80 2je4 n ILE 47 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2je4 s GLY 48 N 0.00 1.85 0.00 3.28 0.00 -1.26 -0.89 107.32 110.30 2je4 s GLY 48 Ca 0.00 -1.91 0.00 0.00 0.00 0.00 0.00 44.72 42.81 2je4 s GLY 48 CO 0.00 -1.85 0.00 0.61 0.00 0.00 0.00 173.10 171.86 2je4 n GLY 49 N -0.60 1.68 3.75 0.20 0.00 -0.22 -4.98 105.19 105.02 2je4 n GLY 49 Ca -0.05 -0.57 -0.41 0.00 0.00 0.00 0.00 46.02 44.98 2je4 n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2je4 s ILE 50 N -2.03 2.51 0.00 -0.61 1.01 -1.26 -1.72 121.20 119.09 2je4 s ILE 50 Ca 0.00 0.44 0.00 0.00 0.00 0.00 0.00 60.65 61.09 2je4 s ILE 50 Cb 0.00 -3.28 0.00 0.00 0.01 0.00 0.00 42.46 39.19 2je4 s ILE 50 CO 0.00 0.08 0.00 0.61 0.00 0.00 0.00 174.94 175.63 2je4 n GLY 51 N 1.95 1.03 0.00 6.18 0.00 -1.26 -4.95 105.19 108.14 2je4 n GLY 51 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 2je4 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2je4 n GLY 52 N -2.00 -0.47 3.76 -0.02 0.00 -0.70 -5.02 105.19 100.74 2je4 n GLY 52 Ca 0.00 -1.99 -0.27 0.00 0.00 0.00 0.00 46.02 43.75 2je4 n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2je4 s PHE 53 N 0.00 3.08 0.13 1.61 0.40 -1.26 -1.05 117.98 120.89 2je4 s PHE 53 Ca 0.00 -0.02 0.05 0.00 -0.60 0.00 0.00 56.93 56.36 2je4 s PHE 53 Cb 0.00 -1.51 -0.04 0.00 0.51 0.00 0.00 43.02 41.98 2je4 s PHE 53 CO 0.00 0.51 -0.12 0.96 0.70 0.00 0.00 175.22 177.28 2je4 s ILE 54 N -1.63 1.19 0.09 0.64 -4.36 -0.07 -4.97 121.20 112.09 2je4 s ILE 54 Ca 0.29 -1.85 -0.26 0.00 -0.26 0.00 0.00 60.65 58.57 2je4 s ILE 54 Cb -0.10 -1.63 -0.06 0.00 1.25 0.00 0.00 42.46 41.91 2je4 s ILE 54 CO 0.22 -0.59 0.82 -0.54 0.24 0.00 0.00 174.94 175.09 2je4 s LYS 55 N -3.16 4.57 0.16 0.37 1.02 -1.26 -1.61 119.74 119.83 2je4 s LYS 55 Ca 0.12 1.19 0.00 0.00 0.02 0.00 0.00 55.97 57.30 2je4 s LYS 55 Cb -0.01 -3.34 -0.04 0.00 -0.52 0.00 0.00 37.83 33.91 2je4 s LYS 55 CO 0.01 0.34 0.03 0.14 -0.92 0.00 0.00 175.35 174.96 2je4 s VAL 56 N -0.33 0.39 -0.22 3.17 -7.23 -0.07 -4.67 120.40 111.45 2je4 s VAL 56 Ca 0.40 -1.95 -0.09 0.00 -1.81 0.00 0.00 61.98 58.53 2je4 s VAL 56 Cb -0.22 -2.10 -0.04 0.00 0.56 0.00 0.00 36.38 34.58 2je4 s VAL 56 CO 0.26 -0.46 0.11 -0.13 -0.31 0.00 0.00 175.10 174.57 2je4 s ARG 57 N -3.98 3.99 -0.29 4.82 0.52 0.14 -1.60 118.95 122.54 2je4 s ARG 57 Ca 0.24 -0.32 -0.16 0.00 -0.52 0.00 0.00 55.73 54.97 2je4 s ARG 57 Cb 0.07 -3.37 -0.03 0.00 0.52 0.00 0.00 34.95 32.14 2je4 s ARG 57 CO 0.03 0.13 0.41 -1.14 0.02 0.00 0.00 175.30 174.75 2je4 s GLN 58 N 0.81 3.90 -0.13 3.54 0.74 0.43 -0.52 119.66 128.43 2je4 s GLN 58 Ca 0.06 -0.01 -0.02 0.00 0.05 0.00 0.00 55.36 55.43 2je4 s GLN 58 Cb -0.13 -3.70 -0.03 0.00 1.10 0.00 0.00 33.01 30.26 2je4 s GLN 58 CO 0.02 -0.37 -0.06 0.71 -0.55 0.00 0.00 175.29 175.04 2je4 s TYR 59 N 2.14 2.98 0.15 1.67 1.51 -0.22 -1.71 117.35 123.87 2je4 s TYR 59 Ca 0.16 -0.28 0.05 0.00 -1.01 0.00 0.00 57.07 55.99 2je4 s TYR 59 Cb -0.16 -1.89 -0.04 0.00 -0.11 0.00 0.00 41.96 39.77 2je4 s TYR 59 CO 0.11 0.02 0.09 -0.51 -1.11 0.00 0.00 175.55 174.15 2je4 s ASP 60 N 0.09 5.33 -1.35 2.29 1.01 -1.26 -0.91 116.67 121.87 2je4 s ASP 60 Ca -0.02 -0.18 -0.04 0.00 0.71 0.00 0.00 52.55 53.02 2je4 s ASP 60 Cb -0.14 -1.34 0.02 0.00 1.01 0.00 0.00 42.92 42.47 2je4 s ASP 60 CO 0.03 0.09 0.86 0.00 0.21 0.00 0.00 175.17 176.36 2je4 n GLN 61 N -0.16 -5.59 -3.41 8.23 1.13 -1.09 -4.91 117.38 111.58 2je4 n GLN 61 Ca -0.09 0.66 -0.38 0.00 -1.94 0.00 0.00 57.00 55.26 2je4 n GLN 61 Cb 0.54 -5.41 -0.08 0.00 0.11 0.00 0.00 30.24 25.40 2je4 n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2je4 s ILE 62 N -3.51 5.21 0.27 5.09 -1.09 0.05 -4.74 121.20 122.49 2je4 s ILE 62 Ca 0.22 0.63 -0.30 0.00 -2.23 0.00 0.00 60.65 58.98 2je4 s ILE 62 Cb -0.11 -3.70 -0.10 0.00 -1.58 0.00 0.00 42.46 36.97 2je4 s ILE 62 CO 0.80 0.24 1.40 -2.84 -1.23 0.00 0.00 174.94 173.31 2je4 s PRO 63 N 1.43 4.29 -0.11 2.79 0.02 -1.26 -1.82 135.00 140.34 2je4 s PRO 63 Ca 0.17 2.27 -0.04 0.00 0.02 0.00 0.00 61.00 63.42 2je4 s PRO 63 Cb -0.15 -3.10 0.05 0.00 0.02 0.00 0.00 34.50 31.32 2je4 s PRO 63 CO 0.08 -0.35 0.09 0.08 -0.33 0.00 0.00 177.00 176.56 2je4 s VAL 64 N -0.32 -0.11 -0.16 3.83 1.01 -0.09 -4.36 120.40 120.19 2je4 s VAL 64 Ca 0.56 0.11 -0.12 0.00 0.00 0.00 0.00 61.98 62.53 2je4 s VAL 64 Cb -0.41 -0.39 -0.05 0.00 0.00 0.00 0.00 36.38 35.53 2je4 s VAL 64 CO 0.46 -0.07 0.23 -0.70 0.00 0.00 0.00 175.10 175.02 2je4 s GLU 65 N 2.17 4.14 -0.19 2.72 2.12 -0.26 -0.98 118.70 128.42 2je4 s GLU 65 Ca 0.03 -0.02 0.12 0.00 0.36 0.00 0.00 54.97 55.47 2je4 s GLU 65 Cb -0.14 -3.39 0.42 0.00 0.26 0.00 0.00 34.13 31.27 2je4 s GLU 65 CO -0.07 0.33 1.21 -0.89 -0.54 0.00 0.00 175.26 175.31 2je4 n ILE 66 N 3.33 2.01 0.00 -3.70 5.41 -1.26 -0.70 119.36 124.44 2je4 n ILE 66 Ca -0.14 -3.03 0.00 0.00 1.00 0.00 0.00 62.75 60.58 2je4 n ILE 66 Cb 0.52 -0.13 0.00 0.00 -0.71 0.00 0.00 39.64 39.32 2je4 n ILE 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2je4 n GLY 68 N -0.98 0.00 3.60 7.39 0.00 -1.26 -4.74 105.19 109.20 2je4 n GLY 68 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 2je4 n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2je4 s HIS 69 N 0.00 3.24 0.27 1.61 4.02 -1.26 -5.06 115.29 118.12 2je4 s HIS 69 Ca 0.00 0.08 -0.27 0.00 1.02 0.00 0.00 55.06 55.89 2je4 s HIS 69 Cb 0.00 -2.28 -0.09 0.00 -1.02 0.00 0.00 32.58 29.19 2je4 s HIS 69 CO 0.00 -0.06 0.92 0.15 1.02 0.00 0.00 174.74 176.77 2je4 s LYS 70 N 1.28 4.67 0.15 1.40 1.02 -1.26 -4.37 119.74 122.63 2je4 s LYS 70 Ca 0.07 1.35 -0.01 0.00 0.02 0.00 0.00 55.97 57.39 2je4 s LYS 70 Cb -0.14 -3.02 -0.04 0.00 -0.52 0.00 0.00 37.83 34.11 2je4 s LYS 70 CO 0.06 0.40 0.08 0.00 -0.92 0.00 0.00 175.35 174.97 2je4 s ALA 71 N -1.42 0.97 -0.20 5.17 0.00 -0.15 -4.74 121.76 121.39 2je4 s ALA 71 Ca 0.45 -1.55 -0.11 0.00 0.00 0.00 0.00 51.96 50.76 2je4 s ALA 71 Cb -0.22 1.04 0.07 0.00 0.00 0.00 0.00 23.12 24.02 2je4 s ALA 71 CO 0.27 -0.52 0.49 -1.50 0.00 0.00 0.00 175.76 174.49 2je4 s ILE 72 N -4.08 -0.14 -0.85 0.00 2.07 -1.26 -0.91 121.20 116.02 2je4 s ILE 72 Ca 0.29 0.08 0.00 0.00 -1.41 0.00 0.00 60.65 59.61 2je4 s ILE 72 Cb 0.07 -0.73 0.00 0.00 0.13 0.00 0.00 42.46 41.94 2je4 s ILE 72 CO 0.05 0.03 0.00 0.61 -1.91 0.00 0.00 174.94 173.72 2je4 n GLY 73 N 4.48 -0.62 3.73 1.50 0.00 -0.76 -4.84 105.19 108.69 2je4 n GLY 73 Ca -0.20 -0.57 -0.41 0.00 0.00 0.00 0.00 46.02 44.84 2je4 n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2je4 s THR 74 N -3.33 4.68 -0.08 2.61 2.01 -1.26 -0.77 115.64 119.50 2je4 s THR 74 Ca 0.00 1.85 0.03 0.00 0.31 0.00 0.00 61.69 63.88 2je4 s THR 74 Cb 0.00 -4.22 0.01 0.00 0.01 0.00 0.00 72.50 68.30 2je4 s THR 74 CO 0.00 0.31 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.37 2je4 s VAL 75 N 0.17 1.56 -0.15 3.82 1.01 -0.09 -4.47 120.40 122.24 2je4 s VAL 75 Ca 0.44 -0.72 -0.07 0.00 0.00 0.00 0.00 61.98 61.62 2je4 s VAL 75 Cb -0.21 -1.38 -0.04 0.00 0.00 0.00 0.00 36.38 34.75 2je4 s VAL 75 CO 0.26 0.45 0.09 -0.76 0.00 0.00 0.00 175.10 175.14 2je4 s LEU 76 N 0.53 4.06 -0.16 3.92 1.43 0.13 -1.05 118.68 127.55 2je4 s LEU 76 Ca -0.16 0.25 -0.00 0.00 -1.03 0.00 0.00 54.13 53.19 2je4 s LEU 76 Cb -0.17 -2.01 -0.01 0.00 0.03 0.00 0.00 46.19 44.04 2je4 s LEU 76 CO 0.06 0.29 -0.13 -0.69 0.23 0.00 0.00 176.35 176.10 2je4 s VAL 77 N -0.29 2.85 0.05 -1.59 1.01 0.32 -0.25 120.40 122.49 2je4 s VAL 77 Ca 0.10 -0.71 -0.27 0.00 0.00 0.00 0.00 61.98 61.10 2je4 s VAL 77 Cb -0.12 -2.21 0.09 0.00 0.00 0.00 0.00 36.38 34.14 2je4 s VAL 77 CO 0.01 0.51 1.20 -0.83 0.00 0.00 0.00 175.10 175.99 2je4 s GLY 78 N 0.77 -0.09 0.14 4.51 0.00 -1.14 -0.68 107.32 110.83 2je4 s GLY 78 Ca -0.05 0.00 -0.31 0.00 0.00 0.00 0.00 44.72 44.36 2je4 s GLY 78 CO 0.01 3.85 1.45 2.56 0.00 0.00 0.00 173.10 180.97 2je4 s PRO 79 N -2.14 4.29 -0.24 2.90 0.04 -1.26 -4.04 135.00 134.54 2je4 s PRO 79 Ca 0.25 2.18 -0.26 0.00 0.04 0.00 0.00 61.00 63.21 2je4 s PRO 79 Cb -0.01 -3.21 0.07 0.00 0.04 0.00 0.00 34.50 31.40 2je4 s PRO 79 CO 0.01 -0.49 0.74 -0.08 0.04 0.00 0.00 177.00 177.22 2je4 s THR 80 N 1.06 0.00 0.25 1.26 -1.32 -1.26 -5.00 115.64 110.63 2je4 s THR 80 Ca 0.66 0.00 0.25 0.00 -1.21 0.00 0.00 61.69 61.39 2je4 s THR 80 Cb -0.39 -1.00 0.25 0.00 -1.51 0.00 0.00 72.50 69.85 2je4 s THR 80 CO 0.31 0.00 1.92 1.55 -2.21 0.00 0.00 174.62 176.19 2je4 h PRO 81 N 4.66 0.00 -3.70 7.08 0.13 -2.00 -3.42 132.00 134.76 2je4 h PRO 81 Ca -0.29 0.00 -0.42 0.00 -0.87 0.00 0.00 66.00 64.43 2je4 h PRO 81 Cb 1.16 0.00 -0.37 0.00 0.13 0.00 0.00 31.00 31.91 2je4 h PRO 81 CO 0.10 0.19 -0.76 0.08 -0.23 0.00 0.00 178.00 177.38 2je4 s VAL 82 N -3.85 0.32 0.23 1.56 1.01 -1.26 -5.12 120.40 113.29 2je4 s VAL 82 Ca -0.01 0.12 -0.30 0.00 0.00 0.00 0.00 61.98 61.79 2je4 s VAL 82 Cb 0.11 -0.47 -0.10 0.00 0.00 0.00 0.00 36.38 35.92 2je4 s VAL 82 CO 0.62 0.24 1.47 0.20 0.00 0.00 0.00 175.10 177.62 2je4 s ASN 83 N 1.79 6.64 -0.03 3.32 0.01 -1.26 -4.88 114.94 120.52 2je4 s ASN 83 Ca 0.02 2.65 0.06 0.00 -0.71 0.00 0.00 52.86 54.88 2je4 s ASN 83 Cb -0.13 -2.62 -0.01 0.00 0.41 0.00 0.00 41.25 38.91 2je4 s ASN 83 CO -0.04 -0.73 -0.20 0.27 -1.51 0.00 0.00 177.10 174.89 2je4 s ILE 84 N 0.25 1.64 -0.35 0.60 -4.36 0.42 -0.35 121.20 119.05 2je4 s ILE 84 Ca 0.62 -0.86 -0.13 0.00 -0.26 0.00 0.00 60.65 60.01 2je4 s ILE 84 Cb -0.42 -1.38 -0.01 0.00 1.25 0.00 0.00 42.46 41.89 2je4 s ILE 84 CO 0.41 0.47 0.26 -0.63 0.24 0.00 0.00 174.94 175.69 2je4 s ILE 85 N -0.24 5.27 0.34 8.37 -1.09 0.43 -1.42 121.20 132.85 2je4 s ILE 85 Ca 0.02 -0.27 0.04 0.00 -2.23 0.00 0.00 60.65 58.21 2je4 s ILE 85 Cb -0.10 -3.77 0.06 0.00 -1.58 0.00 0.00 42.46 37.07 2je4 s ILE 85 CO 0.01 -0.07 0.46 0.61 -1.23 0.00 0.00 174.94 174.72 2je4 n GLY 86 N 5.10 1.71 0.26 6.18 0.00 -1.20 -0.90 105.19 116.34 2je4 n GLY 86 Ca -0.12 -2.15 0.13 0.00 0.00 0.00 0.00 46.02 43.88 2je4 n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2je4 h ARG 87 N 0.00 0.00 -0.20 1.61 3.08 -0.94 -0.71 114.38 117.22 2je4 h ARG 87 Ca -0.16 0.00 0.01 0.00 0.07 0.00 0.00 59.98 59.90 2je4 h ARG 87 Cb 0.69 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.73 2je4 h ARG 87 CO 0.21 0.12 0.13 -2.95 -1.07 0.00 0.00 179.97 176.41 2je4 h ASN 88 N 0.00 0.21 0.00 7.04 -1.07 -1.80 -1.87 115.58 118.09 2je4 h ASN 88 Ca -0.00 -0.01 -0.32 0.00 0.07 0.00 0.00 56.30 56.04 2je4 h ASN 88 Cb 0.35 -0.05 -0.06 0.00 -2.07 0.00 0.00 38.32 36.49 2je4 h ASN 88 CO 0.02 0.15 -2.24 0.18 0.07 0.00 0.00 177.43 175.61 2je4 n LEU 89 N -4.51 0.00 -0.21 6.14 4.77 -0.66 -4.38 117.00 118.15 2je4 n LEU 89 Ca 0.00 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 56.01 2je4 n LEU 89 Cb 0.09 0.43 0.28 0.00 -2.33 0.00 0.00 43.42 41.89 2je4 n LEU 89 CO 0.35 0.43 1.23 -0.07 -1.33 0.00 0.00 177.39 178.00 2je4 h LEU 90 N 0.00 0.80 -1.38 2.23 3.38 -0.97 -1.24 115.31 118.14 2je4 h LEU 90 Ca -0.47 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.45 2je4 h LEU 90 Cb 2.07 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 42.62 2je4 h LEU 90 CO 0.03 0.56 0.04 0.71 0.09 0.00 0.00 178.44 179.87 2je4 h THR 91 N 0.94 1.16 0.00 0.22 1.35 -1.56 -2.02 112.91 113.00 2je4 h THR 91 Ca 0.29 -0.61 -0.03 0.00 -0.55 0.00 0.00 66.41 65.51 2je4 h THR 91 Cb 0.01 0.89 -0.00 0.00 -1.73 0.00 0.00 68.15 67.31 2je4 h THR 91 CO -0.08 0.21 -0.15 1.56 -0.25 0.00 0.00 175.52 176.82 2je4 h GLN 92 N 0.44 0.00 -0.60 4.72 4.20 -1.43 -2.36 115.11 120.08 2je4 h GLN 92 Ca 0.10 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.81 2je4 h GLN 92 Cb 0.23 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.01 2je4 h GLN 92 CO 0.00 0.15 0.00 0.44 -0.67 0.00 0.00 178.83 178.75 2je4 n ILE 93 N -3.32 0.83 -2.19 2.54 -5.35 -1.00 -4.94 119.36 105.93 2je4 n ILE 93 Ca 0.00 -0.92 -0.08 0.00 -0.27 0.00 0.00 62.75 61.49 2je4 n ILE 93 Cb 0.37 0.66 -0.00 0.00 -1.74 0.00 0.00 39.64 38.94 2je4 n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2je4 n GLY 94 N 1.54 0.08 3.75 3.28 0.00 -0.89 -4.99 105.19 107.96 2je4 n GLY 94 Ca 0.22 -0.56 -0.40 0.00 0.00 0.00 0.00 46.02 45.29 2je4 n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2je4 s THR 96 N -1.21 0.77 -0.18 0.00 -4.23 -1.26 -4.77 115.64 104.77 2je4 s THR 96 Ca 0.42 -1.61 -0.09 0.00 -1.18 0.00 0.00 61.69 59.23 2je4 s THR 96 Cb -0.26 -1.29 -0.05 0.00 1.34 0.00 0.00 72.50 72.24 2je4 s THR 96 CO 0.32 -0.62 0.13 -0.22 -0.54 0.00 0.00 174.62 173.69 2je4 s LEU 97 N -2.44 4.22 -0.02 4.79 2.96 -1.26 -5.09 118.68 121.84 2je4 s LEU 97 Ca 0.04 0.28 0.03 0.00 -0.22 0.00 0.00 54.13 54.25 2je4 s LEU 97 Cb -0.02 -2.07 -0.00 0.00 0.50 0.00 0.00 46.19 44.59 2je4 s LEU 97 CO -0.01 0.24 -0.10 0.20 -1.32 0.00 0.00 176.35 175.35 2je4 s ASN 98 N 0.01 1.24 0.00 3.68 0.01 -1.26 -5.30 114.94 113.33 2je4 s ASN 98 Ca 0.09 -0.19 0.00 0.00 -0.71 0.00 0.00 52.86 52.05 2je4 s ASN 98 Cb -0.11 -0.24 0.00 0.00 0.41 0.00 0.00 41.25 41.31 2je4 s ASN 98 CO -0.00 0.10 0.00 2.22 -1.51 0.00 0.00 177.10 177.91