#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 3.52 -0.17 0.54 0.74 -1.26 -5.11 119.66 117.92 2je4 s GLN 2 Ca 0.00 -0.55 0.01 0.00 0.05 0.00 0.00 55.36 54.86 2je4 s GLN 2 Cb 0.00 -3.15 0.01 0.00 1.10 0.00 0.00 33.01 30.97 2je4 s GLN 2 CO 0.00 -0.17 -0.18 0.42 -0.55 0.00 0.00 175.29 174.81 2je4 s ILE 3 N 1.49 2.36 0.77 -2.34 1.01 -1.26 -5.12 121.20 118.10 2je4 s ILE 3 Ca 0.06 -0.86 -0.08 0.00 0.00 0.00 0.00 60.65 59.76 2je4 s ILE 3 Cb -0.15 -1.99 0.10 0.00 0.01 0.00 0.00 42.46 40.43 2je4 s ILE 3 CO 0.00 0.52 1.09 0.42 0.00 0.00 0.00 174.94 176.98 2je4 s THR 4 N 1.07 2.17 -0.11 2.92 -4.23 -1.26 -5.04 115.64 111.16 2je4 s THR 4 Ca -0.01 -0.22 0.16 0.00 -1.18 0.00 0.00 61.69 60.44 2je4 s THR 4 Cb -0.14 -2.94 0.25 0.00 1.34 0.00 0.00 72.50 71.00 2je4 s THR 4 CO -0.06 0.00 1.13 0.18 -0.54 0.00 0.00 174.62 175.33 2je4 n LEU 5 N -3.13 2.15 0.23 4.79 4.77 -1.26 -4.62 117.00 119.94 2je4 n LEU 5 Ca 0.10 -2.85 0.06 0.00 -0.03 0.00 0.00 56.01 53.30 2je4 n LEU 5 Cb 0.60 -0.37 0.54 0.00 -2.33 0.00 0.00 43.42 41.87 2je4 n LEU 5 CO 0.50 0.66 0.91 -0.50 -1.33 0.00 0.00 177.39 177.63 2je4 h TRP 6 N 0.00 0.00 -2.05 -1.77 4.06 -2.07 -3.43 115.95 110.70 2je4 h TRP 6 Ca 0.00 0.00 -0.61 0.00 2.06 0.00 0.00 58.89 60.34 2je4 h TRP 6 Cb 0.99 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.01 2je4 h TRP 6 CO 0.01 0.18 -0.69 0.15 -3.56 0.00 0.00 178.44 174.52 2je4 s LYS 7 N -4.57 1.77 0.25 0.49 1.02 -1.26 -5.11 119.74 112.34 2je4 s LYS 7 Ca -0.04 -1.90 -0.31 0.00 0.02 0.00 0.00 55.97 53.74 2je4 s LYS 7 Cb 0.15 -1.66 -0.13 0.00 -0.52 0.00 0.00 37.83 35.67 2je4 s LYS 7 CO 0.68 0.16 1.48 0.54 -0.92 0.00 0.00 175.35 177.29 2je4 n ARG 8 N -0.75 2.26 -2.25 1.68 1.74 -1.26 -4.85 116.66 113.24 2je4 n ARG 8 Ca -0.05 0.81 -0.43 0.00 -0.77 0.00 0.00 57.85 57.41 2je4 n ARG 8 Cb 0.63 -2.51 0.00 0.00 -1.02 0.00 0.00 32.46 29.56 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 2.19 3.11 -3.25 5.56 -0.04 -1.26 -4.93 135.00 136.39 2je4 n PRO 9 Ca 0.11 -3.08 -0.39 0.00 -0.04 0.00 0.00 63.50 60.10 2je4 n PRO 9 Cb 0.33 -3.32 -0.06 0.00 -0.04 0.00 0.00 33.50 30.41 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 2.80 4.41 0.17 1.53 1.43 -1.26 -0.96 118.68 126.80 2je4 s LEU 10 Ca 0.49 1.10 0.02 0.00 -1.03 0.00 0.00 54.13 54.70 2je4 s LEU 10 Cb 0.08 -2.86 -0.05 0.00 0.03 0.00 0.00 46.19 43.39 2je4 s LEU 10 CO -0.00 0.12 0.01 0.68 0.23 0.00 0.00 176.35 177.38 2je4 s VAL 11 N -0.20 0.63 0.05 -1.59 -7.23 0.05 -4.94 120.40 107.18 2je4 s VAL 11 Ca 0.30 -1.98 -0.22 0.00 -1.81 0.00 0.00 61.98 58.27 2je4 s VAL 11 Cb -0.18 -2.14 -0.06 0.00 0.56 0.00 0.00 36.38 34.56 2je4 s VAL 11 CO 0.16 -0.45 0.64 -0.89 -0.31 0.00 0.00 175.10 174.25 2je4 s THR 12 N -3.69 4.75 0.23 5.32 2.01 -1.26 -0.91 115.64 122.09 2je4 s THR 12 Ca 0.25 1.37 0.11 0.00 0.31 0.00 0.00 61.69 63.72 2je4 s THR 12 Cb 0.06 -3.98 -0.05 0.00 0.01 0.00 0.00 72.50 68.54 2je4 s THR 12 CO 0.04 0.47 -0.20 0.27 -0.69 0.00 0.00 174.62 174.51 2je4 s ILE 13 N -0.60 2.24 -0.11 1.82 -4.36 0.20 -4.66 121.20 115.74 2je4 s ILE 13 Ca 0.32 -2.22 0.03 0.00 -0.26 0.00 0.00 60.65 58.53 2je4 s ILE 13 Cb -0.20 -2.15 -0.00 0.00 1.25 0.00 0.00 42.46 41.36 2je4 s ILE 13 CO 0.20 -0.35 -0.22 -0.60 0.24 0.00 0.00 174.94 174.21 2je4 s ARG 14 N -3.23 3.10 -0.08 0.37 3.52 -0.39 -1.12 118.95 121.12 2je4 s ARG 14 Ca 0.25 -0.85 -0.04 0.00 -0.13 0.00 0.00 55.73 54.96 2je4 s ARG 14 Cb -0.05 -2.36 0.04 0.00 -1.56 0.00 0.00 34.95 31.02 2je4 s ARG 14 CO 0.11 0.17 0.18 -1.50 -0.81 0.00 0.00 175.30 173.45 2je4 s ILE 15 N 0.38 -0.05 -1.80 4.11 2.07 0.03 -1.05 121.20 124.89 2je4 s ILE 15 Ca -0.17 0.17 0.00 0.00 -1.41 0.00 0.00 60.65 59.24 2je4 s ILE 15 Cb -0.18 -0.29 0.00 0.00 0.13 0.00 0.00 42.46 42.13 2je4 s ILE 15 CO 0.08 0.07 0.00 0.61 -1.91 0.00 0.00 174.94 173.79 2je4 n GLY 16 N 4.21 0.37 2.36 1.50 0.00 -1.26 -0.87 105.19 111.50 2je4 n GLY 16 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.75 1.77 3.77 -0.02 0.00 -1.26 -5.04 105.19 103.66 2je4 n GLY 17 Ca -0.22 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.21 2.83 -0.02 1.61 -1.52 -0.05 -5.10 119.66 117.21 2je4 s GLN 18 Ca 0.00 -0.78 -0.21 0.00 -1.95 0.00 0.00 55.36 52.42 2je4 s GLN 18 Cb 0.00 -2.67 -0.05 0.00 -0.22 0.00 0.00 33.01 30.07 2je4 s GLN 18 CO 0.00 0.53 0.60 -0.51 -0.25 0.00 0.00 175.29 175.66 2je4 s LEU 19 N -2.63 4.40 0.10 2.90 1.43 -1.26 -0.79 118.68 122.83 2je4 s LEU 19 Ca 0.29 1.14 -0.00 0.00 -1.03 0.00 0.00 54.13 54.53 2je4 s LEU 19 Cb -0.11 -2.92 -0.04 0.00 0.03 0.00 0.00 46.19 43.15 2je4 s LEU 19 CO 0.22 0.08 0.00 -0.54 0.23 0.00 0.00 176.35 176.34 2je4 s LYS 20 N -0.06 0.81 -0.09 1.70 1.02 -0.28 -4.99 119.74 117.85 2je4 s LYS 20 Ca 0.31 -1.35 -0.09 0.00 0.02 0.00 0.00 55.97 54.86 2je4 s LYS 20 Cb -0.18 0.14 -0.04 0.00 -0.52 0.00 0.00 37.83 37.22 2je4 s LYS 20 CO 0.17 -0.16 0.21 -2.00 -0.92 0.00 0.00 175.35 172.65 2je4 s GLU 21 N -3.96 3.60 0.03 1.68 2.12 -1.26 -0.63 118.70 120.27 2je4 s GLU 21 Ca 0.16 0.02 -0.14 0.00 0.36 0.00 0.00 54.97 55.37 2je4 s GLU 21 Cb 0.07 -3.21 0.02 0.00 0.26 0.00 0.00 34.13 31.28 2je4 s GLU 21 CO -0.03 0.74 0.30 0.00 -0.54 0.00 0.00 175.26 175.72 2je4 s ALA 22 N -0.99 -0.68 -0.18 6.30 0.00 -0.09 -4.53 121.76 121.59 2je4 s ALA 22 Ca 0.17 0.05 -0.15 0.00 0.00 0.00 0.00 51.96 52.03 2je4 s ALA 22 Cb -0.13 0.27 -0.04 0.00 0.00 0.00 0.00 23.12 23.21 2je4 s ALA 22 CO 0.06 -0.38 0.34 -1.17 0.00 0.00 0.00 175.76 174.61 2je4 s LEU 23 N -1.91 4.19 -0.34 0.00 2.96 0.69 -0.77 118.68 123.50 2je4 s LEU 23 Ca -0.07 0.49 -0.29 0.00 -0.22 0.00 0.00 54.13 54.04 2je4 s LEU 23 Cb -0.02 -2.43 0.01 0.00 0.50 0.00 0.00 46.19 44.25 2je4 s LEU 23 CO -0.02 0.01 1.23 -0.76 -1.32 0.00 0.00 176.35 175.49 2je4 s LEU 24 N 0.91 3.84 -0.36 -0.68 1.43 -0.13 -0.50 118.68 123.19 2je4 s LEU 24 Ca 0.17 1.04 0.01 0.00 -1.03 0.00 0.00 54.13 54.33 2je4 s LEU 24 Cb -0.14 -3.54 0.11 0.00 0.03 0.00 0.00 46.19 42.65 2je4 s LEU 24 CO 0.06 -1.08 0.13 -0.62 0.23 0.00 0.00 176.35 175.08 2je4 s ASP 25 N 2.53 4.13 0.58 2.29 2.15 -0.12 -4.79 116.67 123.43 2je4 s ASP 25 Ca 0.53 -2.11 0.36 0.00 0.43 0.00 0.00 52.55 51.76 2je4 s ASP 25 Cb -0.14 -1.14 1.72 0.00 -0.30 0.00 0.00 42.92 43.06 2je4 s ASP 25 CO 0.23 -0.36 2.13 0.71 -0.17 0.00 0.00 175.17 177.71 2je4 h THR 26 N 6.13 0.14 -0.22 1.71 1.35 -1.94 -2.43 112.91 117.65 2je4 h THR 26 Ca -0.08 -0.37 0.00 0.00 -0.55 0.00 0.00 66.41 65.41 2je4 h THR 26 Cb 0.99 1.32 0.00 0.00 -1.73 0.00 0.00 68.15 68.73 2je4 h THR 26 CO 0.50 0.03 0.00 0.61 -0.25 0.00 0.00 175.52 176.41 2je4 n GLY 27 N -0.47 0.17 3.41 5.82 0.00 -1.26 -4.83 105.19 108.02 2je4 n GLY 27 Ca -0.01 -0.31 -0.34 0.00 0.00 0.00 0.00 46.02 45.37 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 -1.70 2.80 0.25 4.61 0.00 -0.91 -4.99 121.76 121.81 2je4 s ALA 28 Ca 0.22 -0.91 -0.02 0.00 0.00 0.00 0.00 51.96 51.26 2je4 s ALA 28 Cb 0.12 -1.43 0.30 0.00 0.00 0.00 0.00 23.12 22.11 2je4 s ALA 28 CO 0.16 0.12 1.70 -0.44 0.00 0.00 0.00 175.76 177.30 2je4 h ASP 29 N 6.94 0.68 -2.86 0.00 3.32 -1.88 0.12 116.42 122.76 2je4 h ASP 29 Ca -0.30 -0.22 -0.50 0.00 0.02 0.00 0.00 57.03 56.03 2je4 h ASP 29 Cb 1.20 -0.19 -0.14 0.00 0.22 0.00 0.00 39.33 40.42 2je4 h ASP 29 CO 0.59 0.86 -0.67 -1.81 -1.72 0.00 0.00 179.24 176.49 2je4 s ASP 30 N -6.74 2.82 -0.24 6.45 1.01 -1.26 -2.56 116.67 116.16 2je4 s ASP 30 Ca -0.09 -1.21 -0.09 0.00 0.71 0.00 0.00 52.55 51.87 2je4 s ASP 30 Cb 0.14 -0.18 -0.04 0.00 1.01 0.00 0.00 42.92 43.85 2je4 s ASP 30 CO 0.81 -0.36 0.11 -0.89 0.21 0.00 0.00 175.17 175.05 2je4 s THR 31 N -3.00 4.85 -0.09 -1.27 2.01 -1.26 -3.02 115.64 113.85 2je4 s THR 31 Ca 0.30 0.00 -0.01 0.00 0.31 0.00 0.00 61.69 62.30 2je4 s THR 31 Cb 0.04 -3.26 0.03 0.00 0.01 0.00 0.00 72.50 69.32 2je4 s THR 31 CO 0.13 0.35 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.67 2je4 s VAL 32 N 1.25 0.72 0.07 3.82 1.01 0.06 -0.72 120.40 126.62 2je4 s VAL 32 Ca 0.06 -0.11 0.10 0.00 0.00 0.00 0.00 61.98 62.03 2je4 s VAL 32 Cb -0.14 -0.80 -0.03 0.00 0.00 0.00 0.00 36.38 35.41 2je4 s VAL 32 CO 0.05 0.31 -0.27 -0.63 0.00 0.00 0.00 175.10 174.57 2je4 s ILE 33 N 1.74 2.17 0.95 2.22 -1.09 0.44 -0.24 121.20 127.40 2je4 s ILE 33 Ca 0.03 -1.51 -0.12 0.00 -2.23 0.00 0.00 60.65 56.83 2je4 s ILE 33 Cb -0.13 -1.88 0.10 0.00 -1.58 0.00 0.00 42.46 38.97 2je4 s ILE 33 CO -0.06 0.27 0.78 -1.84 -1.23 0.00 0.00 174.94 172.86 2je4 n GLU 34 N 1.49 -0.48 -1.62 2.79 0.28 -1.25 -1.24 120.64 120.61 2je4 n GLU 34 Ca -0.17 -0.09 -0.46 0.00 -0.16 0.00 0.00 57.16 56.28 2je4 n GLU 34 Cb 0.52 -2.12 -0.03 0.00 1.43 0.00 0.00 31.44 31.25 2je4 n GLU 34 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2je4 n GLU 35 N -3.06 1.53 -3.78 3.44 1.02 -1.23 -4.53 120.64 114.03 2je4 n GLU 35 Ca 0.09 0.54 -0.35 0.00 -0.02 0.00 0.00 57.16 57.42 2je4 n GLU 35 Cb 0.53 -2.04 -0.05 0.00 -0.02 0.00 0.00 31.44 29.85 2je4 n GLU 35 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 2je4 s ASN 37 N -0.14 6.48 0.16 1.62 0.02 -1.26 -5.03 114.94 116.79 2je4 s ASN 37 Ca 0.66 0.54 0.06 0.00 -1.02 0.00 0.00 52.86 53.09 2je4 s ASN 37 Cb -0.73 -2.08 -0.04 0.00 0.02 0.00 0.00 41.25 38.42 2je4 s ASN 37 CO 0.55 0.27 -0.13 -0.76 0.02 0.00 0.00 177.10 177.05 2je4 s LEU 38 N -1.71 2.50 0.40 0.60 1.43 -1.26 -5.02 118.68 115.62 2je4 s LEU 38 Ca 0.26 -0.96 -0.27 0.00 -1.03 0.00 0.00 54.13 52.14 2je4 s LEU 38 Cb -0.13 -0.51 -0.09 0.00 0.03 0.00 0.00 46.19 45.49 2je4 s LEU 38 CO 0.15 -0.23 1.36 -2.84 0.23 0.00 0.00 176.35 175.02 2je4 s PRO 39 N -3.40 4.00 0.23 1.29 0.02 -1.26 -4.88 135.00 130.99 2je4 s PRO 39 Ca 0.16 2.29 0.00 0.00 0.02 0.00 0.00 61.00 63.47 2je4 s PRO 39 Cb -0.01 -2.83 0.00 0.00 0.02 0.00 0.00 34.50 31.69 2je4 s PRO 39 CO 0.03 -0.51 0.00 0.41 -0.33 0.00 0.00 177.00 176.60 2je4 n GLY 40 N 0.64 -1.77 3.78 0.52 0.00 -1.26 -4.97 105.19 102.12 2je4 n GLY 40 Ca 0.03 -1.93 -0.37 0.00 0.00 0.00 0.00 46.02 43.75 2je4 n GLY 40 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2je4 s LYS 41 N 0.00 4.22 0.08 1.61 0.00 -1.26 -5.08 119.74 119.31 2je4 s LYS 41 Ca 0.00 1.59 -0.02 0.00 0.00 0.00 0.00 55.97 57.54 2je4 s LYS 41 Cb 0.00 -2.65 -0.04 0.00 0.00 0.00 0.00 37.83 35.15 2je4 s LYS 41 CO 0.00 -0.11 0.01 1.67 0.00 0.00 0.00 175.35 176.92 2je4 s TRP 42 N -1.56 0.60 0.07 1.78 1.48 -1.26 -4.39 118.94 115.66 2je4 s TRP 42 Ca 0.56 -1.08 0.03 0.00 -1.06 0.00 0.00 56.10 54.55 2je4 s TRP 42 Cb -0.24 -0.39 -0.03 0.00 -1.16 0.00 0.00 33.47 31.65 2je4 s TRP 42 CO 0.31 -0.44 -0.10 -1.59 -4.06 0.00 0.00 176.95 171.07 2je4 s LYS 43 N -3.96 0.71 0.54 3.25 -2.85 -0.88 -4.92 119.74 111.64 2je4 s LYS 43 Ca 0.12 -0.96 -0.21 0.00 -1.00 0.00 0.00 55.97 53.92 2je4 s LYS 43 Cb 0.08 -0.49 -0.05 0.00 -2.06 0.00 0.00 37.83 35.31 2je4 s LYS 43 CO -0.06 0.09 1.27 -2.14 0.10 0.00 0.00 175.35 174.60 2je4 s PRO 44 N -2.12 3.22 0.00 1.78 0.02 -1.26 -0.59 135.00 136.04 2je4 s PRO 44 Ca -0.02 2.02 0.00 0.00 0.02 0.00 0.00 61.00 63.02 2je4 s PRO 44 Cb -0.07 -2.19 0.00 0.00 0.02 0.00 0.00 34.50 32.26 2je4 s PRO 44 CO 0.00 -1.06 0.00 1.17 -0.33 0.00 0.00 177.00 176.78 2je4 n LYS 45 N -1.08 0.00 0.00 5.54 4.81 -0.74 -4.82 118.16 121.87 2je4 n LYS 45 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.55 2je4 n LYS 45 Cb 0.47 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.52 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 -4.43 3.15 -5.35 -0.62 -0.94 119.36 111.17 2je4 n ILE 47 Ca 0.00 0.00 -0.23 0.00 -0.27 0.00 0.00 62.75 62.25 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 1.75 0.00 3.28 0.00 -1.26 -0.65 107.32 110.44 2je4 s GLY 48 Ca 0.00 -1.79 0.00 0.00 0.00 0.00 0.00 44.72 42.93 2je4 s GLY 48 CO 0.00 -1.87 0.00 0.61 0.00 0.00 0.00 173.10 171.84 2je4 n GLY 49 N -0.44 3.29 0.28 0.20 0.00 -0.11 -4.98 105.19 103.42 2je4 n GLY 49 Ca -0.07 -0.74 0.04 0.00 0.00 0.00 0.00 46.02 45.25 2je4 n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2je4 h ILE 50 N 0.00 1.11 0.00 -0.61 2.10 -2.01 -2.53 117.51 115.57 2je4 h ILE 50 Ca 0.00 -0.36 0.00 0.00 1.08 0.00 0.00 64.86 65.58 2je4 h ILE 50 Cb 0.00 0.82 0.00 0.00 -1.09 0.00 0.00 36.82 36.55 2je4 h ILE 50 CO 0.00 0.13 -0.69 0.61 -1.08 0.00 0.00 178.15 177.13 2je4 n GLY 51 N -1.27 -1.35 0.00 8.18 0.00 -1.26 -5.08 105.19 104.41 2je4 n GLY 51 Ca 0.01 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 1.37 0.81 3.77 -0.02 0.00 -0.96 -5.12 105.19 105.05 2je4 n GLY 52 Ca 0.03 -1.86 -0.31 0.00 0.00 0.00 0.00 46.02 43.88 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 -2.70 3.19 0.13 1.61 0.40 -1.26 -0.93 117.98 118.41 2je4 s PHE 53 Ca 0.00 0.09 0.05 0.00 -0.60 0.00 0.00 56.93 56.46 2je4 s PHE 53 Cb 0.00 -1.63 -0.04 0.00 0.51 0.00 0.00 43.02 41.86 2je4 s PHE 53 CO 0.00 0.52 -0.11 0.96 0.70 0.00 0.00 175.22 177.29 2je4 s ILE 54 N -1.36 1.14 0.02 0.64 -4.36 0.18 -4.98 121.20 112.47 2je4 s ILE 54 Ca 0.29 -1.88 -0.22 0.00 -0.26 0.00 0.00 60.65 58.58 2je4 s ILE 54 Cb -0.12 -1.65 -0.06 0.00 1.25 0.00 0.00 42.46 41.89 2je4 s ILE 54 CO 0.21 -0.63 0.65 -0.54 0.24 0.00 0.00 174.94 174.87 2je4 s LYS 55 N -3.26 4.37 0.17 0.37 1.02 -1.26 -1.59 119.74 119.56 2je4 s LYS 55 Ca 0.12 0.85 0.01 0.00 0.02 0.00 0.00 55.97 56.97 2je4 s LYS 55 Cb -0.00 -3.34 -0.05 0.00 -0.52 0.00 0.00 37.83 33.92 2je4 s LYS 55 CO 0.01 0.36 0.01 0.14 -0.92 0.00 0.00 175.35 174.95 2je4 s VAL 56 N -0.22 0.59 -0.17 3.17 -7.23 -0.11 -4.50 120.40 111.92 2je4 s VAL 56 Ca 0.33 -1.97 -0.13 0.00 -1.81 0.00 0.00 61.98 58.40 2je4 s VAL 56 Cb -0.19 -2.12 -0.05 0.00 0.56 0.00 0.00 36.38 34.58 2je4 s VAL 56 CO 0.19 -0.46 0.26 -0.13 -0.31 0.00 0.00 175.10 174.65 2je4 s ARG 57 N -3.94 4.24 -0.34 4.82 0.52 0.30 -1.79 118.95 122.77 2je4 s ARG 57 Ca 0.24 0.02 -0.12 0.00 -0.52 0.00 0.00 55.73 55.35 2je4 s ARG 57 Cb 0.06 -3.43 -0.01 0.00 0.52 0.00 0.00 34.95 32.10 2je4 s ARG 57 CO 0.04 0.25 0.23 -1.14 0.02 0.00 0.00 175.30 174.69 2je4 s GLN 58 N 0.45 3.40 -0.18 3.54 0.74 0.24 -0.55 119.66 127.30 2je4 s GLN 58 Ca 0.15 -0.70 -0.06 0.00 0.05 0.00 0.00 55.36 54.80 2je4 s GLN 58 Cb -0.12 -3.77 -0.03 0.00 1.10 0.00 0.00 33.01 30.19 2je4 s GLN 58 CO 0.02 -0.47 0.01 0.71 -0.55 0.00 0.00 175.29 175.02 2je4 s TYR 59 N 1.69 3.10 0.17 1.67 1.51 -0.26 -2.08 117.35 123.15 2je4 s TYR 59 Ca 0.06 -0.23 0.03 0.00 -1.01 0.00 0.00 57.07 55.91 2je4 s TYR 59 Cb -0.17 -2.05 -0.03 0.00 -0.11 0.00 0.00 41.96 39.59 2je4 s TYR 59 CO 0.09 -0.06 0.30 -0.51 -1.11 0.00 0.00 175.55 174.27 2je4 s ASP 60 N 0.64 6.34 -1.27 2.29 1.01 -1.26 -0.84 116.67 123.57 2je4 s ASP 60 Ca 0.00 0.17 -0.02 0.00 0.71 0.00 0.00 52.55 53.41 2je4 s ASP 60 Cb -0.14 -1.91 0.01 0.00 1.01 0.00 0.00 42.92 41.89 2je4 s ASP 60 CO 0.02 0.03 0.92 0.00 0.21 0.00 0.00 175.17 176.35 2je4 n GLN 61 N -0.70 -6.16 -3.52 8.23 1.13 -1.13 -4.88 117.38 110.35 2je4 n GLN 61 Ca -0.07 0.76 -0.38 0.00 -1.94 0.00 0.00 57.00 55.37 2je4 n GLN 61 Cb 0.54 -5.63 -0.09 0.00 0.11 0.00 0.00 30.24 25.17 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 -3.45 5.27 0.21 5.09 -1.09 0.16 -4.69 121.20 122.70 2je4 s ILE 62 Ca 0.10 0.39 -0.30 0.00 -2.23 0.00 0.00 60.65 58.61 2je4 s ILE 62 Cb -0.04 -3.61 -0.09 0.00 -1.58 0.00 0.00 42.46 37.14 2je4 s ILE 62 CO 0.76 0.26 1.38 -2.84 -1.23 0.00 0.00 174.94 173.27 2je4 s PRO 63 N 1.50 4.33 -0.04 2.79 0.02 -1.26 -1.53 135.00 140.80 2je4 s PRO 63 Ca 0.12 2.16 0.00 0.00 0.02 0.00 0.00 61.00 63.30 2je4 s PRO 63 Cb -0.15 -3.17 0.02 0.00 0.02 0.00 0.00 34.50 31.23 2je4 s PRO 63 CO 0.08 -0.35 -0.02 0.08 -0.33 0.00 0.00 177.00 176.47 2je4 s VAL 64 N 0.20 0.35 -0.24 3.83 1.01 0.07 -4.37 120.40 121.25 2je4 s VAL 64 Ca 0.59 0.01 -0.09 0.00 0.00 0.00 0.00 61.98 62.49 2je4 s VAL 64 Cb -0.39 -0.43 -0.04 0.00 0.00 0.00 0.00 36.38 35.52 2je4 s VAL 64 CO 0.39 0.20 0.11 -0.70 0.00 0.00 0.00 175.10 175.10 2je4 s GLU 65 N 1.12 3.85 -0.22 2.72 2.12 -0.22 -0.98 118.70 127.08 2je4 s GLU 65 Ca -0.08 -0.38 0.11 0.00 0.36 0.00 0.00 54.97 54.98 2je4 s GLU 65 Cb -0.14 -3.41 0.43 0.00 0.26 0.00 0.00 34.13 31.28 2je4 s GLU 65 CO -0.01 -0.06 1.29 -0.89 -0.54 0.00 0.00 175.26 175.05 2je4 n ILE 66 N 4.58 2.28 0.00 -3.70 5.41 -1.26 -1.26 119.36 125.41 2je4 n ILE 66 Ca -0.16 -2.96 0.00 0.00 1.00 0.00 0.00 62.75 60.64 2je4 n ILE 66 Cb 0.52 -0.26 0.00 0.00 -0.71 0.00 0.00 39.64 39.18 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 -1.13 0.00 3.59 7.39 0.00 -1.26 -4.75 105.19 109.02 2je4 n GLY 68 Ca 0.23 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.91 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 3.12 0.16 1.61 4.02 -1.26 -5.09 115.29 117.85 2je4 s HIS 69 Ca 0.00 -0.05 -0.25 0.00 1.02 0.00 0.00 55.06 55.79 2je4 s HIS 69 Cb 0.00 -1.92 -0.08 0.00 -1.02 0.00 0.00 32.58 29.56 2je4 s HIS 69 CO 0.00 0.18 0.76 0.15 1.02 0.00 0.00 174.74 176.85 2je4 s LYS 70 N -0.07 4.53 0.04 1.40 -0.14 -1.26 -4.36 119.74 119.88 2je4 s LYS 70 Ca 0.03 1.12 -0.00 0.00 -1.36 0.00 0.00 55.97 55.76 2je4 s LYS 70 Cb -0.13 -3.24 -0.03 0.00 -1.68 0.00 0.00 37.83 32.75 2je4 s LYS 70 CO 0.02 0.57 -0.03 0.00 -0.76 0.00 0.00 175.35 175.15 2je4 s ALA 71 N -1.16 0.35 -0.10 5.17 0.00 -0.16 -4.60 121.76 121.26 2je4 s ALA 71 Ca 0.35 -0.93 -0.03 0.00 0.00 0.00 0.00 51.96 51.36 2je4 s ALA 71 Cb -0.23 0.21 0.04 0.00 0.00 0.00 0.00 23.12 23.15 2je4 s ALA 71 CO 0.26 -0.26 0.06 0.42 0.00 0.00 0.00 175.76 176.24 2je4 s ILE 72 N -2.76 -0.02 0.00 0.00 1.01 -1.26 -0.75 121.20 117.43 2je4 s ILE 72 Ca -0.03 0.11 0.00 0.00 0.00 0.00 0.00 60.65 60.72 2je4 s ILE 72 Cb -0.01 -0.41 0.00 0.00 0.01 0.00 0.00 42.46 42.06 2je4 s ILE 72 CO -0.06 -0.02 0.00 0.61 0.00 0.00 0.00 174.94 175.48 2je4 n GLY 73 N 5.26 1.07 3.73 6.18 0.00 -0.58 -4.78 105.19 116.07 2je4 n GLY 73 Ca -0.05 -0.71 -0.41 0.00 0.00 0.00 0.00 46.02 44.85 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 -2.23 3.87 -0.11 2.61 2.01 -1.26 -0.66 115.64 119.86 2je4 s THR 74 Ca 0.00 1.48 0.02 0.00 0.31 0.00 0.00 61.69 63.50 2je4 s THR 74 Cb 0.00 -3.95 0.01 0.00 0.01 0.00 0.00 72.50 68.58 2je4 s THR 74 CO 0.00 0.19 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.26 2je4 s VAL 75 N 0.33 1.65 -0.12 3.82 1.01 -0.02 -4.47 120.40 122.60 2je4 s VAL 75 Ca 0.54 -0.74 -0.09 0.00 0.00 0.00 0.00 61.98 61.69 2je4 s VAL 75 Cb -0.30 -1.48 -0.04 0.00 0.00 0.00 0.00 36.38 34.55 2je4 s VAL 75 CO 0.33 0.47 0.18 -0.76 0.00 0.00 0.00 175.10 175.32 2je4 s LEU 76 N 0.87 4.36 -0.14 3.92 1.43 0.11 -1.10 118.68 128.12 2je4 s LEU 76 Ca -0.08 0.49 0.02 0.00 -1.03 0.00 0.00 54.13 53.52 2je4 s LEU 76 Cb -0.15 -2.15 0.01 0.00 0.03 0.00 0.00 46.19 43.93 2je4 s LEU 76 CO -0.00 0.34 -0.19 -0.69 0.23 0.00 0.00 176.35 176.04 2je4 s VAL 77 N -0.71 1.87 -0.01 -1.59 1.01 0.29 -0.42 120.40 120.84 2je4 s VAL 77 Ca 0.15 -0.85 -0.03 0.00 0.00 0.00 0.00 61.98 61.25 2je4 s VAL 77 Cb -0.12 -1.68 0.01 0.00 0.00 0.00 0.00 36.38 34.59 2je4 s VAL 77 CO 0.04 0.51 0.13 0.61 0.00 0.00 0.00 175.10 176.39 2je4 n GLY 78 N 4.26 0.36 2.36 4.51 0.00 -0.38 -0.54 105.19 115.76 2je4 n GLY 78 Ca -0.20 -0.82 -0.37 0.00 0.00 0.00 0.00 46.02 44.64 2je4 n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2je4 n PRO 79 N -0.09 3.48 -2.66 1.61 -0.04 -1.26 -3.49 135.00 132.55 2je4 n PRO 79 Ca 0.01 -2.11 -0.36 0.00 -0.04 0.00 0.00 63.50 60.99 2je4 n PRO 79 Cb 0.05 -2.76 -0.05 0.00 -0.04 0.00 0.00 33.50 30.70 2je4 n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2je4 s THR 80 N 2.35 3.98 0.33 0.52 -1.32 -1.26 -4.98 115.64 115.25 2je4 s THR 80 Ca 0.66 1.53 0.16 0.00 -1.21 0.00 0.00 61.69 62.83 2je4 s THR 80 Cb 0.17 -3.80 0.12 0.00 -1.51 0.00 0.00 72.50 67.48 2je4 s THR 80 CO -0.06 0.03 1.82 -0.65 -2.21 0.00 0.00 174.62 173.56 2je4 h PRO 81 N 2.72 0.00 -3.43 7.08 0.11 -1.98 -3.44 132.00 133.06 2je4 h PRO 81 Ca -0.48 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.47 2je4 h PRO 81 Cb 1.20 0.00 -0.23 0.00 0.11 0.00 0.00 31.00 32.08 2je4 h PRO 81 CO 0.63 0.36 -0.51 0.54 -0.21 0.00 0.00 178.00 178.81 2je4 s VAL 82 N -4.02 0.04 0.24 3.15 0.11 -1.26 -5.11 120.40 113.56 2je4 s VAL 82 Ca -0.02 -0.37 -0.30 0.00 -2.93 0.00 0.00 61.98 58.36 2je4 s VAL 82 Cb 0.13 -0.34 -0.10 0.00 -1.53 0.00 0.00 36.38 34.54 2je4 s VAL 82 CO 0.70 -0.20 1.43 0.20 -3.33 0.00 0.00 175.10 173.90 2je4 s ASN 83 N -0.70 6.67 -0.10 3.54 0.01 -1.26 -4.86 114.94 118.24 2je4 s ASN 83 Ca -0.08 2.65 0.01 0.00 -0.71 0.00 0.00 52.86 54.73 2je4 s ASN 83 Cb -0.05 -2.62 0.02 0.00 0.41 0.00 0.00 41.25 39.01 2je4 s ASN 83 CO 0.01 -0.69 -0.10 -0.63 -1.51 0.00 0.00 177.10 174.18 2je4 s ILE 84 N 0.02 1.09 -0.40 0.60 1.01 0.67 -0.22 121.20 123.96 2je4 s ILE 84 Ca 0.59 -0.37 -0.17 0.00 0.00 0.00 0.00 60.65 60.70 2je4 s ILE 84 Cb -0.42 -1.06 0.01 0.00 0.01 0.00 0.00 42.46 41.01 2je4 s ILE 84 CO 0.43 0.37 0.41 -0.63 0.00 0.00 0.00 174.94 175.52 2je4 s ILE 85 N 1.32 5.11 0.43 2.92 -1.09 0.35 -0.76 121.20 129.48 2je4 s ILE 85 Ca -0.02 -0.27 0.03 0.00 -2.23 0.00 0.00 60.65 58.16 2je4 s ILE 85 Cb -0.14 -3.98 0.08 0.00 -1.58 0.00 0.00 42.46 36.84 2je4 s ILE 85 CO -0.04 -0.34 0.59 0.61 -1.23 0.00 0.00 174.94 174.53 2je4 n GLY 86 N 5.07 1.32 0.25 6.18 0.00 -1.17 -0.95 105.19 115.90 2je4 n GLY 86 Ca -0.08 -2.10 0.10 0.00 0.00 0.00 0.00 46.02 43.95 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 -0.61 1.61 3.08 -0.77 -0.11 114.38 117.58 2je4 h ARG 87 Ca -0.20 0.00 0.05 0.00 0.07 0.00 0.00 59.98 59.91 2je4 h ARG 87 Cb 0.81 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.82 2je4 h ARG 87 CO 0.24 0.14 0.41 -2.95 -1.07 0.00 0.00 179.97 176.74 2je4 h ASN 88 N 0.00 0.55 0.00 7.04 -1.07 -1.75 -1.36 115.58 119.00 2je4 h ASN 88 Ca -0.00 -0.00 -0.30 0.00 0.07 0.00 0.00 56.30 56.07 2je4 h ASN 88 Cb 0.34 -0.12 -0.06 0.00 -2.07 0.00 0.00 38.32 36.41 2je4 h ASN 88 CO 0.02 0.36 -2.30 0.18 0.07 0.00 0.00 177.43 175.76 2je4 n LEU 89 N -4.47 0.00 -0.17 6.14 4.77 -0.70 -4.23 117.00 118.34 2je4 n LEU 89 Ca 0.08 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 2je4 n LEU 89 Cb 0.21 0.40 0.25 0.00 -2.33 0.00 0.00 43.42 41.95 2je4 n LEU 89 CO 0.34 0.40 1.17 -0.07 -1.33 0.00 0.00 177.39 177.90 2je4 h LEU 90 N 0.00 0.79 -1.10 2.23 3.38 -0.87 -1.56 115.31 118.19 2je4 h LEU 90 Ca -0.44 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.44 2je4 h LEU 90 Cb 2.00 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 42.52 2je4 h LEU 90 CO 0.02 0.63 0.16 0.71 0.09 0.00 0.00 178.44 180.05 2je4 h THR 91 N 0.91 1.21 -0.34 0.22 1.35 -1.45 -1.58 112.91 113.23 2je4 h THR 91 Ca 0.24 -0.73 -0.07 0.00 -0.55 0.00 0.00 66.41 65.29 2je4 h THR 91 Cb -0.01 0.63 -0.02 0.00 -1.73 0.00 0.00 68.15 67.03 2je4 h THR 91 CO -0.04 0.28 -0.09 1.56 -0.25 0.00 0.00 175.52 176.97 2je4 h GLN 92 N 0.78 0.57 -0.13 4.72 4.20 -1.47 -2.24 115.11 121.54 2je4 h GLN 92 Ca 0.18 -0.16 0.00 0.00 0.06 0.00 0.00 58.65 58.73 2je4 h GLN 92 Cb 0.24 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.96 2je4 h GLN 92 CO -0.01 0.66 0.00 0.44 -0.67 0.00 0.00 178.83 179.26 2je4 n ILE 93 N -4.21 0.16 -1.34 2.54 -5.35 -1.02 -4.93 119.36 105.21 2je4 n ILE 93 Ca 0.01 -0.36 0.00 0.00 -0.27 0.00 0.00 62.75 62.13 2je4 n ILE 93 Cb 0.32 0.54 0.00 0.00 -1.74 0.00 0.00 39.64 38.75 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 1.19 0.44 3.75 3.28 0.00 -0.84 -5.02 105.19 107.99 2je4 n GLY 94 Ca 0.17 -0.95 -0.40 0.00 0.00 0.00 0.00 46.02 44.84 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 -0.95 0.92 -0.16 0.00 -4.23 -1.26 -4.74 115.64 105.21 2je4 s THR 96 Ca 0.46 -1.92 -0.06 0.00 -1.18 0.00 0.00 61.69 58.99 2je4 s THR 96 Cb -0.32 -1.67 -0.04 0.00 1.34 0.00 0.00 72.50 71.82 2je4 s THR 96 CO 0.40 -0.76 0.02 -0.22 -0.54 0.00 0.00 174.62 173.52 2je4 s LEU 97 N -2.96 3.60 -0.03 4.79 2.96 -1.26 -5.10 118.68 120.68 2je4 s LEU 97 Ca 0.12 0.02 0.03 0.00 -0.22 0.00 0.00 54.13 54.08 2je4 s LEU 97 Cb 0.03 -1.89 0.00 0.00 0.50 0.00 0.00 46.19 44.83 2je4 s LEU 97 CO -0.02 0.20 -0.12 0.20 -1.32 0.00 0.00 176.35 175.29 2je4 s ASN 98 N 0.21 1.50 0.00 3.68 0.01 -1.26 -5.30 114.94 113.78 2je4 s ASN 98 Ca 0.02 -0.24 0.00 0.00 -0.71 0.00 0.00 52.86 51.93 2je4 s ASN 98 Cb -0.13 -0.38 0.00 0.00 0.41 0.00 0.00 41.25 41.15 2je4 s ASN 98 CO 0.01 0.10 0.00 2.22 -1.51 0.00 0.00 177.10 177.92